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$$$$
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VEGFR, PDGFR, c-Kit

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

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319460-85-0

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Src, Bcr-Abl

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Free Base

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http://www.selleckchem.com/products/AZD0530.html

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379231-04-6

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

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>  <Synonyms> (6)
ARRY-142886 

>  <Target> (6)
MEK

>  <Form> (6)
Free Base

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

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

$$$$
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N/A 

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

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

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656247-17-5

$$$$
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N/A 

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Src

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Free Base

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

>  <CAS Number> (8)
380843-75-4

$$$$
untitled.cdx
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>  <Mol_ID> (9)
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Cediranib (AZD2171)

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Recentin 

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VEGFR, Flt

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Free Base

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

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288383-20-0

$$$$
CI1040.cdx
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>  <Mol_ID> (10)
14

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MEK 

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Free Base

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http://www.selleckchem.com/products/CI-1040-(PD184352).html

>  <CAS Number> (10)
212631-79-3

$$$$
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Src, Bcr-Abl, c-Kit

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>  <URL> (11)
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302962-49-8

$$$$
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>  <Mol_ID> (12)
17

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C53H84NO14P

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Deforolimus (MK-8669) 

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S1022

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AP23573, MK-8669

>  <Target> (12)
mTOR

>  <Form> (12)
Free Base

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

>  <CAS Number> (12)
572924-54-0

$$$$
untitled.cdx
csChFnd80/10101813202D

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19

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>  <Item Name> (13)
Gefitinib (ZD1839)

>  <Catalog Number> (13)
S1025

>  <Synonyms> (13)
N/A

>  <Target> (13)
EGFR

>  <Form> (13)
Free Base

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

>  <CAS Number> (13)
184475-35-2

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (14)
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C43H42ClFN4O10S3

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Lapatinib (GW-572016) Ditosylate

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S1028

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GW-57201

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EGFR, HER2

>  <Form> (14)
Ditosylat

>  <URL> (14)
http://www.selleckchem.com/products/Lapatinib-Ditosylate.html

>  <CAS Number> (14)
388082-77-7

$$$$
untitled.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (15)
22

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C13H13N3O3

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259.26062

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Lenalidomide (CC-5013)

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S1029

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CC-5013

>  <Target> (15)
TNF-alpha

>  <Form> (15)
Free Base

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

>  <CAS Number> (15)
191732-72-6

$$$$
Motesanib Diphosphate(AMG-706).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (16)
24

>  <Formula> (16)
C22H29N5O9P2

>  <MolWeight> (16)
569.441282

>  <Item Name> (16)
Motesanib Diphosphate (AMG-706)

>  <Catalog Number> (16)
S1032

>  <Synonyms> (16)
AMG-706

>  <Target> (16)
VEGFR, PDGFR, c-Kit

>  <Form> (16)
Diphosphate

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

>  <CAS Number> (16)
857876-30-3

$$$$
untitled.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (17)
25

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C28H22F3N7O

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Nilotinib (AMN-107)

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S1033

>  <Synonyms> (17)
Tasigna 

>  <Target> (17)
Bcr-Abl

>  <Form> (17)
Free Base

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

>  <CAS Number> (17)
641571-10-0

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (18)
26

>  <Formula> (18)
C21H24ClN7O2S

>  <MolWeight> (18)
473.97896

>  <Item Name> (18)
Pazopanib HCl

>  <Catalog Number> (18)
S1035

>  <Synonyms> (18)
GW786034

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

>  <Form> (18)
Hydrochloride

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

>  <CAS Number> (18)
635702-64-6

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (19)
27

>  <Formula> (19)
C16H14F3IN2O4

>  <MolWeight> (19)
482.1930396

>  <Item Name> (19)
PD0325901

>  <Catalog Number> (19)
S1036

>  <Synonyms> (19)
N/A

>  <Target> (19)
MEK 

>  <Form> (19)
Free Base

>  <URL> (19)
http://www.selleckchem.com/products/PD-0325901.html

>  <CAS Number> (19)
391210-10-9

$$$$
Dimesna.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (20)
28

>  <Formula> (20)
C4H8Na2O6S4

>  <MolWeight> (20)
326.34226

>  <Item Name> (20)
Dimesna

>  <Catalog Number> (20)
S1201 

>  <Synonyms> (20)
BNP7787, Tavocept, BioNumerik

>  <Target> (20)
Others

>  <Form> (20)
Disodium salt

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

>  <CAS Number> (20)
16208-51-8

$$$$
RAPAMYCIN.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (21)
32

>  <Formula> (21)
C51H79NO13

>  <MolWeight> (21)
914.17186

>  <Item Name> (21)
Rapamycin (Sirolimus)

>  <Catalog Number> (21)
S1039

>  <Synonyms> (21)
N/A 

>  <Target> (21)
mTOR 

>  <Form> (21)
Free Base

>  <URL> (21)
http://www.selleckchem.com/products/Rapamycin.html

>  <CAS Number> (21)
53123-88-9

$$$$

csChFnd80/10101813202D

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Bay 43-9006 

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VEGFR, PDGFR, Raf

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Tosylate

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http://www.selleckchem.com/products/Sorafenib-Tosylate.html

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475207-59-1

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38

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Vandetanib (ZD6474)

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S1046

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N/A

>  <Target> (23)
VEGFR

>  <Form> (23)
Free Base

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

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443913-73-3

$$$$
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C14H20N2O3

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S1047

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SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (24)
HDAC

>  <Form> (24)
Free Base

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

>  <CAS Number> (24)
149647-78-9

$$$$
untitled.cdx
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>  <Mol_ID> (25)
40

>  <Formula> (25)
C23H28N8OS

>  <MolWeight> (25)
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VX-680 (MK-0457, Tozasertib)

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S1048

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Aurora Kinase

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (25)
639089-54-6

$$$$
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STA-4783

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HSP

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Free Base

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

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488832-69-5

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HDAC 

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209783-80-2

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PKC 

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Free Base

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

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170364-57-5

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Bcl-2 

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Mesylate

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M  END
>  <Mol_ID> (30)
46

>  <Formula> (30)
C24H23FN4O3

>  <MolWeight> (30)
434.4628232

>  <Item Name> (30)
Olaparib (AZD2281, Ku-0059436)

>  <Catalog Number> (30)
S1060

>  <Synonyms> (30)
KU-0059436 

>  <Target> (30)
PARP 

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

>  <CAS Number> (30)
763113-22-0

$$$$
untitled.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (31)
48

>  <Formula> (31)
C28H30N6OS

>  <MolWeight> (31)
498.6424

>  <Item Name> (31)
Masitinib (AB1010)

>  <Catalog Number> (31)
S1064

>  <Synonyms> (31)
N/A 

>  <Target> (31)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (31)
Free Base

>  <URL> (31)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (31)
790299-79-5

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (32)
49

>  <Formula> (32)
C23H27N7O3S2

>  <MolWeight> (32)
513.63558

>  <Item Name> (32)
Pictilisib (GDC-0941)

>  <Catalog Number> (32)
S1065

>  <Synonyms> (32)
RG7321

>  <Target> (32)
PI3K 

>  <Form> (32)
Free Base

>  <URL> (32)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (32)
957054-30-7

$$$$
NVP-AUY922 .cdx
csChFnd80/10101813202D

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>  <Mol_ID> (33)
51

>  <Formula> (33)
C26H31N3O5

>  <MolWeight> (33)
465.54144

>  <Item Name> (33)
Luminespib (AUY-922, NVP-AUY922)

>  <Catalog Number> (33)
S1069

>  <Synonyms> (33)
VER-52296

>  <Target> (33)
HSP

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/NVP-AUY922.html

>  <CAS Number> (33)
747412-49-3

$$$$

csChFnd80/10101813202D

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>  <Mol_ID> (34)
56

>  <Formula> (34)
C25H23Cl2N5O

>  <MolWeight> (34)
480.38902

>  <Item Name> (34)
MK-2206 dihydrochloride

>  <Catalog Number> (34)
S1078

>  <Synonyms> (34)
N/A

>  <Target> (34)
Akt

>  <Form> (34)
Dihydrochloride

>  <URL> (34)
http://www.selleckchem.com/products/MK-2206.html

>  <CAS Number> (34)
1032350-13-2

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (35)
59

>  <Formula> (35)
C19H14Cl2N2O3S

>  <MolWeight> (35)
421.29706

>  <Item Name> (35)
Vismodegib (GDC-0449)

>  <Catalog Number> (35)
S1082

>  <Synonyms> (35)
N/A 

>  <Target> (35)
Hedgehog, P-gp

>  <Form> (35)
Free Base

>  <URL> (35)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (35)
879085-55-9

$$$$
Brivanib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (36)
60

>  <Formula> (36)
C19H19FN4O3

>  <MolWeight> (36)
370.3775632

>  <Item Name> (36)
Brivanib (BMS-540215)

>  <Catalog Number> (36)
S1084

>  <Synonyms> (36)
N/A 

>  <Target> (36)
VEGFR, FGFR

>  <Form> (36)
Free Base

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

>  <CAS Number> (36)
649735-46-6

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (37)
61

>  <Formula> (37)
C15H14N2O4S

>  <MolWeight> (37)
318.34766

>  <Item Name> (37)
Belinostat (PXD101)

>  <Catalog Number> (37)
S1085

>  <Synonyms> (37)
N/A 

>  <Target> (37)
HDAC 

>  <Form> (37)
Free Base

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

>  <CAS Number> (37)
414864-00-9

$$$$
BSI-201.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (38)
62

>  <Formula> (38)
C7H5IN2O3

>  <MolWeight> (38)
292.03067

>  <Item Name> (38)
Iniparib (BSI-201)

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S1087

>  <Synonyms> (38)
SAR240550 

>  <Target> (38)
PARP 

>  <Form> (38)
Free Base

>  <URL> (38)
http://www.selleckchem.com/products/BSI-201.html

>  <CAS Number> (38)
160003-66-7

$$$$
untitled.cdx
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>  <Mol_ID> (39)
64

>  <Formula> (39)
C21H23N3O5

>  <MolWeight> (39)
397.42442

>  <Item Name> (39)
Abexinostat (PCI-24781)

>  <Catalog Number> (39)
S1090

>  <Synonyms> (39)
CRA-024781

>  <Target> (39)
HDAC 

>  <Form> (39)
Free Base

>  <URL> (39)
http://www.selleckchem.com/products/PCI-24781.html

>  <CAS Number> (39)
783355-60-2

$$$$

csChFnd80/10101813202D

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>  <Mol_ID> (40)
69

>  <Formula> (40)
C19H21FN3O5P

>  <MolWeight> (40)
421.3593042

>  <Item Name> (40)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Catalog Number> (40)
S1098

>  <Synonyms> (40)
AG-014447 

>  <Target> (40)
PARP 

>  <Form> (40)
Phosphate

>  <URL> (40)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (40)
459868-92-9

$$$$
untitled.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (41)
71

>  <Formula> (41)
C20H17Cl3N4

>  <MolWeight> (41)
419.73478

>  <Item Name> (41)
Vatalanib (PTK787) 2HCl

>  <Catalog Number> (41)
S1101

>  <Synonyms> (41)
ZK 222584 (cpg-79787) 2HCl

>  <Target> (41)
VEGFR, c-Kit, Flt

>  <Form> (41)
Dihydrochloride

>  <URL> (41)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

>  <CAS Number> (41)
212141-51-0

$$$$
untitled.cdx
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>  <Mol_ID> (42)
78

>  <Formula> (42)
C26H30N6O3

>  <MolWeight> (42)
474.5548

>  <Item Name> (42)
Danusertib (PHA-739358)

>  <Catalog Number> (42)
S1107

>  <Synonyms> (42)
N/A 

>  <Target> (42)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (42)
Free Base

>  <URL> (42)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

>  <CAS Number> (42)
827318-97-8

$$$$
untitled.cdx
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PLK

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Phospholipase

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849217-64-7

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896466-04-9

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Free Base

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59937-28-9 

$$$$
untitled.cdx
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HSP

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75747-14-7

$$$$

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>  <Mol_ID> (54)
101

>  <Formula> (54)
C22H24FN5O4

>  <MolWeight> (54)
441.4554632

>  <Item Name> (54)
Brivanib alaninate (BMS-582664)

>  <Catalog Number> (54)
S1138 

>  <Synonyms> (54)
N/A 

>  <Target> (54)
VEGFR, FGFR

>  <Form> (54)
Alaninate

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

>  <CAS Number> (54)
649735-63-7

$$$$
17-DMAG.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (55)
102

>  <Formula> (55)
C32H49ClN4O8

>  <MolWeight> (55)
653.20646

>  <Item Name> (55)
17-DMAG HCl (Alvespimycin)

>  <Catalog Number> (55)
S1142

>  <Synonyms> (55)
NSC 707545 

>  <Target> (55)
HSP

>  <Form> (55)
Hydrochloride

>  <URL> (55)
http://www.selleckchem.com/products/17-DMAG,Hydrochloride-Salt.html

>  <CAS Number> (55)
467214-21-7

$$$$
VX770.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (56)
104

>  <Formula> (56)
C24H28N2O3

>  <MolWeight> (56)
392.49072

>  <Item Name> (56)
Ivacaftor (VX-770)

>  <Catalog Number> (56)
S1144

>  <Synonyms> (56)
N/A

>  <Target> (56)
CFTR

>  <Form> (56)
Free Base

>  <URL> (56)
http://www.selleckchem.com/products/VX-770.html

>  <CAS Number> (56)
873054-44-5

$$$$
untitled.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (57)
107

>  <Formula> (57)
C26H30FN7O3

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Barasertib (AZD1152-HQPA)

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AZD1152 

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Aurora Kinase

>  <Form> (57)
Free Base

>  <URL> (57)
http://www.selleckchem.com/products/AZD1152-HQPA.html

>  <CAS Number> (57)
722544-51-6

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10101813202D

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Gemcitabine HCl (Gemzar)

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S1149

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Gemzar

>  <Target> (58)
DNA/RNA Synthesis

>  <Form> (58)
Hydrochloride

>  <URL> (58)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (58)
122111-03-9

$$$$
Paclitaxel.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (59)
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>  <Formula> (59)
C47H51NO14

>  <MolWeight> (59)
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>  <Item Name> (59)
Paclitaxel (Taxol)

>  <Catalog Number> (59)
S1150

>  <Synonyms> (59)
N/A 

>  <Target> (59)
Microtubule Associated

>  <Form> (59)
Free Base

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

>  <CAS Number> (59)
33069-62-4

$$$$
untitled.cdx
csChFnd80/10101813202D

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Roscovitine (Seliciclib, CYC202) 

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>  <Synonyms> (60)
N/A 

>  <Target> (60)
CDK 

>  <Form> (60)
Free Base

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

>  <CAS Number> (60)
186692-46-6 

$$$$
Capecitabine.cdx
csChFnd80/10101813202D

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Captabin 

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DNA/RNA Synthesis

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154361-50-9

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Microtubule Associated

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141430-65-1

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EGFR, HER2

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537705-08-1

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HSP

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>  <Mol_ID> (66)
126

>  <Formula> (66)
C21H15ClF4N4O3

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482.8154128

>  <Item Name> (66)
Regorafenib (BAY 73-4506)

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S1178

>  <Synonyms> (66)
BAY 73-4506

>  <Target> (66)
c-Kit, Raf, VEGFR

>  <Form> (66)
Free Base

>  <URL> (66)
http://www.selleckchem.com/products/BAY-73-4506.html

>  <CAS Number> (66)
755037-03-7

$$$$
ENMD-2076.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (67)
129

>  <Formula> (67)
C21H25N7

>  <MolWeight> (67)
375.4701

>  <Item Name> (67)
ENMD-2076

>  <Catalog Number> (67)
S1181

>  <Synonyms> (67)
N/A 

>  <Target> (67)
Flt, Aurora Kinase, VEGFR

>  <Form> (67)
Tartaric Acid 

>  <URL> (67)
http://www.selleckchem.com/products/ENMD-2076.html

>  <CAS Number> (67)
934353-76-1

$$$$
Danoprevir (RG7227,ITMN-191,RO5190591).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (68)
130

>  <Formula> (68)
C35H46FN5O9S

>  <MolWeight> (68)
731.8312432

>  <Item Name> (68)
Danoprevir (ITMN-191)

>  <Catalog Number> (68)
S1183

>  <Synonyms> (68)
RG7227, ITMN-191, RO5190591

>  <Target> (68)
Proteasome, HCV Protease

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
850876-88-9, 916881-67-9, 1001913-18-3, 1225266-12-5

$$$$
Ritonavir.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (69)
131

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C37H48N6O5S2

>  <MolWeight> (69)
720.94422

>  <Item Name> (69)
Ritonavir

>  <Catalog Number> (69)
S1185

>  <Synonyms> (69)
Norvir, Norvir Softgel

>  <Target> (69)
HIV Protease

>  <Form> (69)
Free Base

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

>  <CAS Number> (69)
155213-67-5

$$$$
Ostarine(MK-2866).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (70)
132

>  <Formula> (70)
C19H14F3N3O3

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389.3279696

>  <Item Name> (70)
MK-2866 (GTx-024)

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S1174

>  <Synonyms> (70)
Enobosarm, ostarine

>  <Target> (70)
Androgen Receptor

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
841205-47-8

$$$$
Anastrozole.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (71)
135

>  <Formula> (71)
C17H19N5

>  <MolWeight> (71)
293.36626

>  <Item Name> (71)
Anastrozole

>  <Catalog Number> (71)
S1188

>  <Synonyms> (71)
Arimidex 

>  <Target> (71)
Aromatase

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (72)
136

>  <Formula> (72)
C23H21F7N4O3

>  <MolWeight> (72)
534.4266624

>  <Item Name> (72)
Aprepitant (MK-0869)

>  <Catalog Number> (72)
S1189

>  <Synonyms> (72)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (72)
Substance P

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (73)
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C18H14F4N2O4S

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Bicalutamide (Casodex)

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>  <Synonyms> (73)
N/A 

>  <Target> (73)
Androgen Receptor, P450

>  <Form> (73)
Free Base

>  <URL> (73)
http://www.selleckchem.com/products/Bicalutamide(Casodex).html

>  <CAS Number> (73)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (74)
138

>  <Formula> (74)
C32H47F5O3S

>  <MolWeight> (74)
606.770796

>  <Item Name> (74)
Fulvestrant (Faslodex)

>  <Catalog Number> (74)
S1191

>  <Synonyms> (74)
N/A 

>  <Target> (74)
Estrogen/progestogen Receptor

>  <Form> (74)
Free Base

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

>  <CAS Number> (74)
129453-61-8

$$$$
Raltitrexed.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (75)
139

>  <Formula> (75)
C21H22N4O6S

>  <MolWeight> (75)
458.48758

>  <Item Name> (75)
Raltitrexed (Tomudex)

>  <Catalog Number> (75)
S1192 

>  <Synonyms> (75)
N/A 

>  <Target> (75)
DNA/RNA Synthesis

>  <Form> (75)
Free Base

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

>  <CAS Number> (75)
112887-68-0

$$$$
Exemestane.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (76)
141

>  <Formula> (76)
C20H24O2

>  <MolWeight> (76)
296.40336

>  <Item Name> (76)
Exemestane

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S1196

>  <Synonyms> (76)
Aromasin

>  <Target> (76)
Aromatase

>  <Form> (76)
Free Base

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

>  <CAS Number> (76)
107868-30-4

$$$$
Cladribine.cdx
csChFnd80/10101813202D

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 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (77)
143

>  <Formula> (77)
C10H12ClN5O3

>  <MolWeight> (77)
285.68698

>  <Item Name> (77)
Cladribine

>  <Catalog Number> (77)
S1199

>  <Synonyms> (77)
Leustatin

>  <Target> (77)
DNA/RNA Synthesis

>  <Form> (77)
Free Base

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

>  <CAS Number> (77)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (78)
144

>  <Formula> (78)
C8H12N4O4

>  <MolWeight> (78)
228.20528

>  <Item Name> (78)
Decitabine

>  <Catalog Number> (78)
S1200

>  <Synonyms> (78)
Dacogen

>  <Target> (78)
DNA/RNA Synthesis

>  <Form> (78)
Free Base

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

>  <CAS Number> (78)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/10101813202D

 41 45  0  0  0  0  0  0  0  0999 V2000
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    6.0580    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 19 20  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
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 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
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 28 31  1  0  0  0  0
 24 32  1  0  0  0  0
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 32 35  1  0  0  0  0
 17 19  1  1  0  0  0
 12 36  1  1  0  0  0
  9 37  1  1  0  0  0
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M  END
>  <Mol_ID> (79)
145

>  <Formula> (79)
C27H30F6N2O2

>  <MolWeight> (79)
528.5297192

>  <Item Name> (79)
Dutasteride

>  <Catalog Number> (79)
S1202

>  <Synonyms> (79)
Avodart

>  <Target> (79)
5-alpha Reductase

>  <Form> (79)
Free Base

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

>  <CAS Number> (79)
164656-23-9

$$$$
AV-951.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.3854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1854    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1830    4.8371    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2781    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 14  2  0  0  0  0
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M  END
>  <Mol_ID> (80)
147

>  <Formula> (80)
C22H19ClN4O5

>  <MolWeight> (80)
454.86306

>  <Item Name> (80)
Tivozanib (AV-951)

>  <Catalog Number> (80)
S1207

>  <Synonyms> (80)
N/A 

>  <Target> (80)
VEGFR, c-Kit, PDGFR

>  <Form> (80)
Free Base

>  <URL> (80)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (80)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10101813202D

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (81)
148

>  <Formula> (81)
C27H30ClNO11

>  <MolWeight> (81)
579.9802

>  <Item Name> (81)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (81)
S1208

>  <Synonyms> (81)
N/A 

>  <Target> (81)
Topoisomerase

>  <Form> (81)
Hydrochloride

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

>  <CAS Number> (81)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
149

>  <Formula> (82)
C4H3FN2O2

>  <MolWeight> (82)
130.0772232

>  <Item Name> (82)
Adrucil (Fluorouracil)

>  <Catalog Number> (82)
S1209

>  <Synonyms> (82)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (82)
DNA/RNA Synthesis

>  <Form> (82)
Free Base

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

>  <CAS Number> (82)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/10101813202D

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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (83)
150

>  <Formula> (83)
C20H22N8O5

>  <MolWeight> (83)
454.43928

>  <Item Name> (83)
Abitrexate (Methotrexate)

>  <Catalog Number> (83)
S1210

>  <Synonyms> (83)
Methotrexate, Rheumatrex, Trexall

>  <Target> (83)
DHFR

>  <Form> (83)
Free Base

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

>  <CAS Number> (83)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.7764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6981    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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 10  3  1  0  0  0  0
  4 11  1  0  0  0  0
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 13  5  1  0  0  0  0
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 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (84)
151

>  <Formula> (84)
C14H16N4

>  <MolWeight> (84)
240.30364

>  <Item Name> (84)
Imiquimod

>  <Catalog Number> (84)
S1211

>  <Synonyms> (84)
Aldara

>  <Target> (84)
Immunology & Inflammation related

>  <Form> (84)
Free Base

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

>  <CAS Number> (84)
99011-02-6

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (85)
152

>  <Formula> (85)
C16H22Cl3N3O2

>  <MolWeight> (85)
394.72378

>  <Item Name> (85)
Bendamustine HCL 

>  <Catalog Number> (85)
S1212

>  <Synonyms> (85)
Ribomustin, Treanda, SDX-105

>  <Target> (85)
DNA/RNA Synthesis

>  <Form> (85)
Hydrochloride

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

>  <CAS Number> (85)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4598    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6723    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6723    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  7  1  6  0  0  0
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 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (86)
153

>  <Formula> (86)
C11H15N5O5

>  <MolWeight> (86)
297.2673

>  <Item Name> (86)
Nelarabine (Arranon)

>  <Catalog Number> (86)
S1213

>  <Synonyms> (86)
Arranon

>  <Target> (86)
DNA/RNA Synthesis 

>  <Form> (86)
Free Base

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

>  <CAS Number> (86)
121032-29-9

$$$$
Carboplatin.cdx
csChFnd80/10101813202D

 13 10  0  0  0  0  0  0  0  0999 V2000
    3.2875    2.4207    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    3.9875    1.2082    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3875    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3875    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.6331    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0851    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0851    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0674    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0774    3.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3617    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  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  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
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (87)
155

>  <Formula> (87)
C6H12N2O4Pt

>  <MolWeight> (87)
371.24848

>  <Item Name> (87)
Carboplatin

>  <Catalog Number> (87)
S1215

>  <Synonyms> (87)
Paraplatin

>  <Target> (87)
DNA/RNA Synthesis

>  <Form> (87)
Free Base

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

>  <CAS Number> (87)
41575-94-4

$$$$
Clofarabine.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6540    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7272    3.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1777    2.4595    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1304    1.5069    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
  6 10  1  0  0  0  0
  2 11  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 12  1  0  0  0  0
 12  7  1  6  0  0  0
 13 17  1  6  0  0  0
 15 18  1  6  0  0  0
 14 19  1  1  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (88)
156

>  <Formula> (88)
C10H11ClFN5O3

>  <MolWeight> (88)
303.6774432

>  <Item Name> (88)
Clofarabine

>  <Catalog Number> (88)
S1218

>  <Synonyms> (88)
Clolar, Evoltra

>  <Target> (88)
DNA/RNA Synthesis

>  <Form> (88)
Free Base

>  <URL> (88)
http://www.selleckchem.com/products/Clofarabine.html

>  <CAS Number> (88)
123318-82-1

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   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
    6.0496    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2469    1.0271    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 10 17  1  6  0  0  0
 15 18  2  0  0  0  0
 13 19  2  0  0  0  0
M  END
>  <Mol_ID> (89)
158

>  <Formula> (89)
C11H17ClN4O4

>  <MolWeight> (89)
304.73008

>  <Item Name> (89)
Dexrazoxane Hydrochloride

>  <Catalog Number> (89)
S1222

>  <Synonyms> (89)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (89)
Others

>  <Form> (89)
Hydrochloride

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

>  <CAS Number> (89)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/10101813202D

 41 44  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    8.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    5.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5110    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9077    3.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.3183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8393    8.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8293    7.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1816    7.6409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5439    8.9932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5540    9.9831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2017    9.6208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8494    9.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9151   11.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8915    9.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1681    6.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    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  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
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 17  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 28  2  0  0  0  0
 22 29  1  1  0  0  0
 24 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 31 37  1  1  0  0  0
 35 38  1  1  0  0  0
 34 39  1  6  0  0  0
 33 40  1  1  0  0  0
M  END
>  <Mol_ID> (90)
159

>  <Formula> (90)
C27H30ClNO11

>  <MolWeight> (90)
579.9802

>  <Item Name> (90)
Epirubicin Hydrochloride

>  <Catalog Number> (90)
S1223

>  <Synonyms> (90)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (90)
Topoisomerase 

>  <Form> (90)
Hydrochloride

>  <URL> (90)
http://www.selleckchem.com/products/Ellence.html

>  <CAS Number> (90)
56390-09-1

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/10101813202D

 15 13  0  0  0  0  0  0  0  0999 V2000
    7.6418    1.5200    0.0000 Pt  0  2  0  0  0  0  0  0  0  0  0  0
    8.4646    0.3874    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7961    0.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7961    2.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    2.6527    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.9248    3.0401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    2.1471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.3145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5797    0.0000 N   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
  4  6  2  0  0  0  0
  3  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13  8  1  0  0  0  0
 11 14  1  6  0  0  0
 12 15  1  1  0  0  0
M  END
>  <Mol_ID> (91)
160

>  <Formula> (91)
C8H14N2O4Pt

>  <MolWeight> (91)
397.28576

>  <Item Name> (91)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (91)
S1224

>  <Synonyms> (91)
Eloxatin

>  <Target> (91)
DNA/RNA Synthesis 

>  <Form> (91)
Free Base

>  <URL> (91)
http://www.selleckchem.com/products/Eloxatin.html

>  <CAS Number> (91)
61825-94-3

$$$$
Etoposide.cdx
csChFnd80/10101813202D

 47 53  0  0  0  0  0  0  0  0999 V2000
    6.0538    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    6.2878    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    5.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (92)
161

>  <Formula> (92)
C29H32O13

>  <MolWeight> (92)
588.55658

>  <Item Name> (92)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (92)
S1225

>  <Synonyms> (92)
Vepesid 

>  <Target> (92)
Topoisomerase

>  <Form> (92)
Free Base

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

>  <CAS Number> (92)
33419-42-0

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (93)
163

>  <Formula> (93)
C28H28ClNO4S

>  <MolWeight> (93)
510.04422

>  <Item Name> (93)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (93)
S1227

>  <Synonyms> (93)
Raloxifene Hydrochloride, keoxifene

>  <Target> (93)
Estrogen/progestogen Receptor

>  <Form> (93)
Hydrochloride

>  <URL> (93)
http://www.selleckchem.com/products/Evista.html

>  <CAS Number> (93)
82640-04-8

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  6 10  1  0  0  0  0
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 12  7  1  6  0  0  0
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M  END
>  <Mol_ID> (94)
165

>  <Formula> (94)
C10H13FN5O7P

>  <MolWeight> (94)
365.2116842

>  <Item Name> (94)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (94)
S1229

>  <Synonyms> (94)
N/A 

>  <Target> (94)
DNA/RNA Synthesis

>  <Form> (94)
Phosphate

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

>  <CAS Number> (94)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   11.8804    0.9824    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
  4  5  1  0  0  0  0
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  8  9  2  0  0  0  0
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 10  5  2  0  0  0  0
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 17 12  1  0  0  0  0
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 15 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 16  1  0  0  0  0
 25 28  2  0  0  0  0
 24 29  1  6  0  0  0
 29 30  1  0  0  0  0
 24 31  1  1  0  0  0
M  END
>  <Mol_ID> (95)
166

>  <Formula> (95)
C23H24ClN3O5

>  <MolWeight> (95)
457.90676

>  <Item Name> (95)
Topotecan HCl

>  <Catalog Number> (95)
S1231

>  <Synonyms> (95)
Hycamtin, NSC 609699

>  <Target> (95)
Topoisomerase 

>  <Form> (95)
Hydrochloride

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

>  <CAS Number> (95)
119413-54-6

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10101813202D

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2-ME2

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HIF

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Free Base

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http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

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362-07-2

$$$$
Letrozole.cdx
csChFnd80/10101813202D

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S1235

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Femara, Piroxicam 

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Aromatase 

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Free Base

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

>  <CAS Number> (97)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10101813202D

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169

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C6H6N6O2

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>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
85622-93-1

$$$$
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csChFnd80/10101813202D

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Valdoxan, Melitor, Thymanax

>  <Target> (99)
5-HT Receptor

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
138112-76-2

$$$$
MP-470.cdx
csChFnd80/10101813202D

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171

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S1244

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N/A 

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c-Met, c-Kit, PDGFR, Flt, c-RET

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Free Base

>  <URL> (100)
http://www.selleckchem.com/products/MP-470.html

>  <CAS Number> (100)
850879-09-3

$$$$
leflunomide.cdx
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Arava

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Dehydrogenase

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Free Base

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75706-12-6

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csChFnd80/10101813202D

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N/A 

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Androgen Receptor, P450

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http://www.selleckchem.com/products/MDV3100.html

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915087-33-1

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Dienogest.cdx
csChFnd80/10101813202D

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Estrogen/progestogen Receptor

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
65928-58-7

$$$$
nepafenac.cdx
csChFnd80/10101813202D

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COX

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>  <CAS Number> (104)
78281-72-8

$$$$
Posaconazole.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (105)
177

>  <Formula> (105)
C37H42F2N8O4

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Posaconazole

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S1257

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SCH56592

>  <Target> (105)
P450 (e.g. CYP17)

>  <Form> (105)
Free Base

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

>  <CAS Number> (105)
171228-49-2

$$$$
Ramelteon.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (106)
179

>  <Formula> (106)
C16H21NO2

>  <MolWeight> (106)
259.34344

>  <Item Name> (106)
Ramelteon

>  <Catalog Number> (106)
S1259

>  <Synonyms> (106)
TAK-375

>  <Target> (106)
MT Receptor

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
196597-26-9

$$$$
S1037.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (107)
181

>  <Formula> (107)
C25H52NO4P

>  <MolWeight> (107)
461.658441

>  <Item Name> (107)
Perifosine (KRX-0401)

>  <Catalog Number> (107)
S1037

>  <Synonyms> (107)
NSC639966

>  <Target> (107)
Akt

>  <Form> (107)
Free Base

>  <URL> (107)
http://www.selleckchem.com/products/Perifosine.html

>  <CAS Number> (107)
157716-52-4

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (108)
182

>  <Formula> (108)
C22H23ClF3N

>  <MolWeight> (108)
393.8729296

>  <Item Name> (108)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (108)
S1260

>  <Synonyms> (108)
Mimpara, Sensipar

>  <Target> (108)
CaSR

>  <Form> (108)
Hydrochloride

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

>  <CAS Number> (108)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (109)
183

>  <Formula> (109)
C17H14F3N3O2S

>  <MolWeight> (109)
381.3721696

>  <Item Name> (109)
Celecoxib

>  <Catalog Number> (109)
S1261

>  <Synonyms> (109)
Celebrex, Celebra 

>  <Target> (109)
COX

>  <Form> (109)
Free Base

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

>  <CAS Number> (109)
169590-42-5

$$$$
BMS-708163.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (110)
184

>  <Formula> (110)
C20H17ClF4N4O4S

>  <MolWeight> (110)
520.8849928

>  <Item Name> (110)
BMS-708163 (Avagacestat)

>  <Catalog Number> (110)
S1262

>  <Synonyms> (110)
N/A 

>  <Target> (110)
Gamma-secretase

>  <Form> (110)
Free Base

>  <URL> (110)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (110)
1146699-66-2

$$$$
PLX-4032.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (111)
187

>  <Formula> (111)
C23H18ClF2N3O3S

>  <MolWeight> (111)
489.9221264

>  <Item Name> (111)
Vemurafenib (PLX4032, RG7204)

>  <Catalog Number> (111)
S1267

>  <Synonyms> (111)
RO5185426

>  <Target> (111)
Raf 

>  <Form> (111)
Free Base

>  <URL> (111)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (111)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (112)
189

>  <Formula> (112)
C28H28O3

>  <MolWeight> (112)
412.52012

>  <Item Name> (112)
Adapalene

>  <Catalog Number> (112)
S1276

>  <Synonyms> (112)
Differin

>  <Target> (112)
Retinoid Receptor

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (113)
190

>  <Formula> (113)
C9H18N6

>  <MolWeight> (113)
210.27942

>  <Item Name> (113)
Altretamine (Hexalen)

>  <Catalog Number> (113)
S1278

>  <Synonyms> (113)
Hexalen

>  <Target> (113)
DNA alkylator

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (114)
191

>  <Formula> (114)
C17H27N3O4S

>  <MolWeight> (114)
369.47898

>  <Item Name> (114)
Amisulpride

>  <Catalog Number> (114)
S1280

>  <Synonyms> (114)
Solian

>  <Target> (114)
Dopamine Receptor

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (115)
192

>  <Formula> (115)
C12H13NO3

>  <MolWeight> (115)
219.23652

>  <Item Name> (115)
Aniracetam

>  <Catalog Number> (115)
S1281

>  <Synonyms> (115)
Draganon, Sarpul, Ampamet

>  <Target> (115)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
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 18  4  1  0  0  0  0
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M  END
>  <Mol_ID> (116)
193

>  <Formula> (116)
C21H20ClNO5

>  <MolWeight> (116)
401.8402

>  <Item Name> (116)
Asenapine maleate

>  <Catalog Number> (116)
S1283

>  <Synonyms> (116)
Saphris

>  <Target> (116)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (116)
Maleate

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

>  <CAS Number> (116)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (117)
194

>  <Formula> (117)
C24H29ClN2O5

>  <MolWeight> (117)
460.95046

>  <Item Name> (117)
Benazepril hydrochloride

>  <Catalog Number> (117)
S1284

>  <Synonyms> (117)
Lotensin

>  <Target> (117)
RAAS

>  <Form> (117)
Hydrochloride

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

>  <CAS Number> (117)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/10101813202D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
196

>  <Formula> (118)
C25H34O6

>  <MolWeight> (118)
430.53386

>  <Item Name> (118)
Budesonide

>  <Catalog Number> (118)
S1286

>  <Synonyms> (118)
N/A

>  <Target> (118)
Glucocorticoid Receptor

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
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    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 19 20  2  0  0  0  0
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  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
>  <Mol_ID> (119)
197

>  <Formula> (119)
C17H20N2O5S

>  <MolWeight> (119)
364.4161

>  <Item Name> (119)
Bumetanide

>  <Catalog Number> (119)
S1287

>  <Synonyms> (119)
Bumex

>  <Target> (119)
Others

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/10101813202D

 18 18  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (120)
198

>  <Formula> (120)
C11H16FN3O3

>  <MolWeight> (120)
257.2614432

>  <Item Name> (120)
Carmofur

>  <Catalog Number> (120)
S1289

>  <Synonyms> (120)
HCFU

>  <Target> (120)
Antimetabolites

>  <Form> (120)
Free Base

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

>  <CAS Number> (120)
61422-45-5

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/10101813202D

 29 29  0  0  0  0  0  0  0  0999 V2000
    9.6727    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6727    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8851    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6769    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6769    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4645    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0438    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5182    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9347    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1429    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3511    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5594    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.5594    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2118    4.1927    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  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (121)
200

>  <Formula> (121)
C21H27Cl3N2O3

>  <MolWeight> (121)
461.80968

>  <Item Name> (121)
Cetirizine Dihydrochloride

>  <Catalog Number> (121)
S1291

>  <Synonyms> (121)
Zyrtec, Reactine

>  <Target> (121)
Histamine Receptor

>  <Form> (121)
Dihydrochloride

>  <URL> (121)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (121)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/10101813202D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2494    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    5.5927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8825    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0411    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7154    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1360    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9236    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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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
  4  8  1  0  0  0  0
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 15  7  1  0  0  0  0
 12 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (122)
201

>  <Formula> (122)
C27H28N2O7

>  <MolWeight> (122)
492.52042

>  <Item Name> (122)
Cilnidipine

>  <Catalog Number> (122)
S1293

>  <Synonyms> (122)
FRC 8653 

>  <Target> (122)
Calcium Channel

>  <Form> (122)
Free Base

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

>  <CAS Number> (122)
132203-70-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (123)
203

>  <Formula> (123)
C18H20O2

>  <MolWeight> (123)
268.3502

>  <Item Name> (123)
Diethylstilbestrol

>  <Catalog Number> (123)
S1859

>  <Synonyms> (123)
Stilbestrol

>  <Target> (123)
Estrogen/progestogen Receptor

>  <Form> (123)
Free Base

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

>  <CAS Number> (123)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.0318    7.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29  1  1  0  0  0  0
M  END
>  <Mol_ID> (124)
204

>  <Formula> (124)
C22H27ClN2O4S

>  <MolWeight> (124)
450.97878

>  <Item Name> (124)
Diltiazem HCl

>  <Catalog Number> (124)
S1865

>  <Synonyms> (124)
RG 83606 HCl

>  <Target> (124)
Calcium Channel 

>  <Form> (124)
Hydrochloride

>  <URL> (124)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (124)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8287    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0411    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9843    4.0760    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (125)
205

>  <Formula> (125)
C17H22ClNO

>  <MolWeight> (125)
291.81568

>  <Item Name> (125)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (125)
S1866

>  <Synonyms> (125)
Dimedrol

>  <Target> (125)
Histamine Receptor

>  <Form> (125)
Hydrochloride

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

>  <CAS Number> (125)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8287    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    5.4785    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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 14 15  1  6  0  0  0
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 16 17  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (126)
206

>  <Formula> (126)
C21H24ClNO

>  <MolWeight> (126)
341.87436

>  <Item Name> (126)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (126)
S1869

>  <Synonyms> (126)
Priligy, LY-210448 hydrochloride

>  <Target> (126)
5-HT Receptor

>  <Form> (126)
Hydrochloride

>  <URL> (126)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (126)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.5208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    1.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  5  1  0  0  0  0
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 13  9  2  0  0  0  0
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  3 15  1  0  0  0  0
 12 16  2  0  0  0  0
M  END
>  <Mol_ID> (127)
207

>  <Formula> (127)
C10H8Cl3N3O

>  <MolWeight> (127)
292.54902

>  <Item Name> (127)
Anagrelide hydrochloride 

>  <Catalog Number> (127)
S3172

>  <Synonyms> (127)
N/A

>  <Target> (127)
PDE

>  <Form> (127)
Hydrochloride 

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

>  <CAS Number> (127)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.1449    1.3981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    2.2791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5586    3.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3190    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    0.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    0.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260    1.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
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  9 10  1  0  0  0  0
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  7 12  2  0  0  0  0
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  5 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
>  <Mol_ID> (128)
208

>  <Formula> (128)
C11H12N2O

>  <MolWeight> (128)
188.22578

>  <Item Name> (128)
Antipyrine

>  <Catalog Number> (128)
S3173

>  <Synonyms> (128)
N/A 

>  <Target> (128)
COX

>  <Form> (128)
Free Base

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

>  <CAS Number> (128)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (129)
209

>  <Formula> (129)
C18H19Cl2NO4

>  <MolWeight> (129)
384.25376

>  <Item Name> (129)
Felodipine (Plendil)

>  <Catalog Number> (129)
S1885

>  <Synonyms> (129)
Renedil, Feloday 

>  <Target> (129)
NULL

>  <Form> (129)
Free Base

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

>  <CAS Number> (129)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/10101813202D

 36 40  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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  5 23  1  1  0  0  0
 14 24  1  1  0  0  0
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M  END
>  <Mol_ID> (130)
210

>  <Formula> (130)
C25H31NO6

>  <MolWeight> (130)
441.51674

>  <Item Name> (130)
Deflazacort (Calcort)

>  <Catalog Number> (130)
S1888

>  <Synonyms> (130)
Cortax, Decortil, Deflanil

>  <Target> (130)
Glucocorticoid Receptor

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0614    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3893    6.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7893    6.7948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0893    8.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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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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  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (131)
211

>  <Formula> (131)
C12H21N5O2S2

>  <MolWeight> (131)
331.45744

>  <Item Name> (131)
Nizatidine

>  <Catalog Number> (131)
S1890

>  <Synonyms> (131)
Axid

>  <Target> (131)
Histamine Receptor

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (132)
213

>  <Formula> (132)
C18H28ClNO2

>  <MolWeight> (132)
325.87342

>  <Item Name> (132)
Dyclonine hydrochloride

>  <Catalog Number> (132)
S2041

>  <Synonyms> (132)
N/A

>  <Target> (132)
Sodium Channel

>  <Form> (132)
Hydrochloride

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

>  <CAS Number> (132)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/10101813202D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (133)
214

>  <Formula> (133)
C10H14N2O4

>  <MolWeight> (133)
226.22916

>  <Item Name> (133)
Carbidopa

>  <Catalog Number> (133)
S1891

>  <Synonyms> (133)
Lodosyn

>  <Target> (133)
Decarboxylase

>  <Form> (133)
Free Base

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

>  <CAS Number> (133)
28860-95-9

$$$$
D-glutamine.cdx
csChFnd80/10101813202D

 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
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    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (134)
215

>  <Formula> (134)
C5H10N2O3

>  <MolWeight> (134)
146.1445

>  <Item Name> (134)
D-glutamine

>  <Catalog Number> (134)
S1893

>  <Synonyms> (134)
N/A

>  <Target> (134)
GluR

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
5959-95-5

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/10101813202D

 33 35  0  0  0  0  0  0  0  0999 V2000
    6.0411    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1867    7.7325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
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  9 10  1  0  0  0  0
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  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  2  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 24  2  0  0  0  0
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 29 30  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
216

>  <Formula> (135)
C24H29N5O3

>  <MolWeight> (135)
435.51876

>  <Item Name> (135)
Valsartan (Diovan)

>  <Catalog Number> (135)
S1894

>  <Synonyms> (135)
N/A 

>  <Target> (135)
RAAS

>  <Form> (135)
Free Base

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

>  <CAS Number> (135)
137862-53-4

$$$$

csChFnd80/10101813202D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (136)
217

>  <Formula> (136)
C24H40N8O4

>  <MolWeight> (136)
504.6256

>  <Item Name> (136)
Dipyridamole (Persantine)

>  <Catalog Number> (136)
S1895

>  <Synonyms> (136)
Permole

>  <Target> (136)
PDE

>  <Form> (136)
Free Base

>  <URL> (136)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (136)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/10101813202D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (137)
218

>  <Formula> (137)
CH4N2O2

>  <MolWeight> (137)
76.05466

>  <Item Name> (137)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (137)
S1896

>  <Synonyms> (137)
Hydrea, Biosupressin

>  <Target> (137)
DNA/RNA Synthesis

>  <Form> (137)
Free Base

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

>  <CAS Number> (137)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/10101813202D

  2  0  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
M  END
>  <Mol_ID> (138)
219

>  <Formula> (138)
IK

>  <MolWeight> (138)
166.00277

>  <Item Name> (138)
Potassium iodide

>  <Catalog Number> (138)
S1897

>  <Synonyms> (138)
N/A 

>  <Target> (138)
Others

>  <Form> (138)
Inorganic salt

>  <URL> (138)
http://www.selleckchem.com/products/Potassium-iodide.html

>  <CAS Number> (138)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (139)
220

>  <Formula> (139)
C17H21ClN2O2

>  <MolWeight> (139)
320.81384

>  <Item Name> (139)
Tropisetron HCl

>  <Catalog Number> (139)
S1898

>  <Synonyms> (139)
Navoban

>  <Target> (139)
5-HT Receptor

>  <Form> (139)
Hydrochloride

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

>  <CAS Number> (139)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  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
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (140)
221

>  <Formula> (140)
C6H6N2O

>  <MolWeight> (140)
122.12464

>  <Item Name> (140)
Nicotinamide (Vitamin B3)

>  <Catalog Number> (140)
S1899

>  <Synonyms> (140)
Niacinamide

>  <Target> (140)
Sirtuin

>  <Form> (140)
Free Base

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

>  <CAS Number> (140)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/10101813202D

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    3.6481   16.1242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.5939   15.1971    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
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   10.5530   16.2838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6008   17.2195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (141)
222

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>  <Item Name> (141)
Vitamin B12

>  <Catalog Number> (141)
S1902

>  <Synonyms> (141)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (141)
Vitamin

>  <Form> (141)
Free Base

>  <URL> (141)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (141)
68-19-9

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/10101813202D

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224

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C6H9N3O3

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Metronidazole (Flagyl)

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S1907

>  <Synonyms> (142)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (142)
DNA/RNA Synthesis

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/10101813202D

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225

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C11H11F3N2O3

>  <MolWeight> (143)
276.2118496

>  <Item Name> (143)
Flutamide (Eulexin)

>  <Catalog Number> (143)
S1908

>  <Synonyms> (143)
Flutamin, Drogenil 

>  <Target> (143)
P450

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/10101813202D

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   10.3569    5.8305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5651    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7733    5.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9404    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3569    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9816    5.1330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.1940    5.8330    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.7733    7.2257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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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  1  7  1  0  0  0  0
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  9  2  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
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 26 29  1  0  0  0  0
 26 31  2  0  0  0  0
M  END
>  <Mol_ID> (144)
226

>  <Formula> (144)
C24H25FNNaO4

>  <MolWeight> (144)
433.4477732

>  <Item Name> (144)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (144)
S1909

>  <Synonyms> (144)
Vastin

>  <Target> (144)
HMG-CoA Reductase

>  <Form> (144)
Sodium

>  <URL> (144)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (144)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7735    4.4810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    4.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (145)
227

>  <Formula> (145)
C10H11N3O3S

>  <MolWeight> (145)
253.27764

>  <Item Name> (145)
Sulfamethoxazole

>  <Catalog Number> (145)
S1915

>  <Synonyms> (145)
Gantanol

>  <Target> (145)
Antifection

>  <Form> (145)
Free Base

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

>  <CAS Number> (145)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    2.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    4.4810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    4.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8610    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  2  0  0  0  0
 12 17  1  0  0  0  0
 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (146)
228

>  <Formula> (146)
C11H13N3O3S

>  <MolWeight> (146)
267.30422

>  <Item Name> (146)
Sulfisoxazole

>  <Catalog Number> (146)
S1916

>  <Synonyms> (146)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (146)
Antifection

>  <Form> (146)
Free Base

>  <URL> (146)
http://www.selleckchem.com/products/Sulfisoxazole.html

>  <CAS Number> (146)
127-69-5

$$$$

csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    7.6370   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6370   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8495   -7.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -6.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0619   -5.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6412   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -9.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6412  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0577  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4826  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2701   -9.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0577   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6908  -11.8829    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.6908  -13.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7999  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2065  -12.7676    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 12 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (147)
229

>  <Formula> (147)
C25H30ClN3

>  <MolWeight> (147)
407.9788

>  <Item Name> (147)
Crystal violet 

>  <Catalog Number> (147)
S1917

>  <Synonyms> (147)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (147)
Others

>  <Form> (147)
quaternary-N chloride salt

>  <URL> (147)
http://www.selleckchem.com/products/Crystal-violet.html

>  <CAS Number> (147)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    3.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    0.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1991    2.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6942    1.3523    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (148)
230

>  <Formula> (148)
C21H23ClFNO2

>  <MolWeight> (148)
375.8642232

>  <Item Name> (148)
Haloperidol (Haldol)

>  <Catalog Number> (148)
S1920

>  <Synonyms> (148)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (148)
Dopamine Receptor

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/10101813202D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (149)
231

>  <Formula> (149)
C15H10O2

>  <MolWeight> (149)
222.2387

>  <Item Name> (149)
Phenindione (Rectadione)

>  <Catalog Number> (149)
S1921

>  <Synonyms> (149)
Dindevan, Rectadione

>  <Target> (149)
Vitamin

>  <Form> (149)
Free Base

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

>  <CAS Number> (149)
83-12-5

$$$$
Irsogladine.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (150)
232

>  <Formula> (150)
C9H7Cl2N5

>  <MolWeight> (150)
256.09138

>  <Item Name> (150)
Irsogladine

>  <Catalog Number> (150)
S1929

>  <Synonyms> (150)
N/A

>  <Target> (150)
AChR,PDE

>  <Form> (150)
Free Base

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

>  <CAS Number> (150)
57381-26-7

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (151)
233

>  <Formula> (151)
C21H27FO6

>  <MolWeight> (151)
394.4338832

>  <Item Name> (151)
Triamcinolone (Aristocort)

>  <Catalog Number> (151)
S1933

>  <Synonyms> (151)
N/A

>  <Target> (151)
Glucocorticoid Receptor

>  <Form> (151)
Free Base

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

>  <CAS Number> (151)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/10101813202D

 42 47  0  0  0  0  0  0  0  0999 V2000
   10.1373    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7046    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3046    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    3.1948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5658    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5026    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0700    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0068    5.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    4.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5091    1.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8406    2.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0046    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2171    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4295    4.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    5.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8544    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8544    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    8.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2792    7.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0668    6.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262   11.1782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4956   10.8871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6419    9.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3630    8.9254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4262    9.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0339    9.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    5.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    7.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    7.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    4.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    3.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  4  9  2  0  0  0  0
  3  6  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 13 14  1  0  0  0  0
  1 13  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 23 28  2  0  0  0  0
 17 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  2  0  0  0  0
 24 31  1  0  0  0  0
 16 20  1  0  0  0  0
  5 16  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 36 40  1  0  0  0  0
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 40 42  1  0  0  0  0
 35 39  1  0  0  0  0
 12 35  1  0  0  0  0
M  END
>  <Mol_ID> (152)
234

>  <Formula> (152)
C30H24N4O8

>  <MolWeight> (152)
568.53356

>  <Item Name> (152)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (152)
S3057

>  <Synonyms> (152)
N/A

>  <Target> (152)
RAAS

>  <Form> (152)
Free Base

>  <URL> (152)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (152)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/10101813202D

 16 16  0  0  0  0  0  0  0  0999 V2000
    3.9215    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8491    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4303    3.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5346    4.8871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1318    1.5236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2796    2.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0258    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9215    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8172    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    6.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7271    4.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6952    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
 10  1  1  0  0  0  0
  2  5  1  0  0  0  0
  3  2  1  0  0  0  0
  8  2  2  0  0  0  0
  7  3  2  0  0  0  0
  9  4  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
  6  8  1  0  0  0  0
  6  7  1  0  0  0  0
 15  9  1  0  0  0  0
  9 14  2  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
M  END
>  <Mol_ID> (153)
235

>  <Formula> (153)
C13H17ClN2

>  <MolWeight> (153)
236.74048

>  <Item Name> (153)
Medetomidine HCl

>  <Catalog Number> (153)
S3060

>  <Synonyms> (153)
N/A

>  <Target> (153)
Adrenergic Receptor

>  <Form> (153)
HCl

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

>  <CAS Number> (153)
86347-15-1

$$$$
Cilostazol.cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4537    3.2397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    2.9486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5231    4.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (154)
238

>  <Formula> (154)
C20H27N5O2

>  <MolWeight> (154)
369.46068

>  <Item Name> (154)
Cilostazol

>  <Catalog Number> (154)
S1294

>  <Synonyms> (154)
Pletal

>  <Target> (154)
PDE

>  <Form> (154)
Free Base

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

>  <CAS Number> (154)
73963-72-1

$$$$
Floxuridine.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (155)
240

>  <Formula> (155)
C9H11FN2O5

>  <MolWeight> (155)
246.1924432

>  <Item Name> (155)
Floxuridine

>  <Catalog Number> (155)
S1299

>  <Synonyms> (155)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (155)
DNA/RNA Synthesis

>  <Form> (155)
Free Base

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

>  <CAS Number> (155)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (156)
241

>  <Formula> (156)
C8H9FN2O3

>  <MolWeight> (156)
200.1670632

>  <Item Name> (156)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (156)
S1300

>  <Synonyms> (156)
N/A

>  <Target> (156)
DNA/RNA Synthesis

>  <Form> (156)
Free Base

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

>  <CAS Number> (156)
17902-23-7

$$$$
1.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (157)
242

>  <Formula> (157)
C18H16F2N4O2S

>  <MolWeight> (157)
390.4070464

>  <Item Name> (157)
LY2886721

>  <Catalog Number> (157)
S2156

>  <Synonyms> (157)
N/A 

>  <Target> (157)
BACE

>  <Form> (157)
Free Base

>  <URL> (157)
http://www.selleckchem.com/products/LY-2886721.html

>  <CAS Number> (157)
1262036-50-9

$$$$
Ifosfamide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (158)
243

>  <Formula> (158)
C7H15Cl2N2O2P

>  <MolWeight> (158)
261.085961

>  <Item Name> (158)
Ifosfamide

>  <Catalog Number> (158)
S1302

>  <Synonyms> (158)
Mitoxana, Ifex

>  <Target> (158)
DNA/RNA Synthesis

>  <Form> (158)
Free Base

>  <URL> (158)
http://www.selleckchem.com/products/Ifosfamide.html

>  <CAS Number> (158)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (159)
244

>  <Formula> (159)
C24H32O4

>  <MolWeight> (159)
384.50848

>  <Item Name> (159)
Megestrol Acetate

>  <Catalog Number> (159)
S1304

>  <Synonyms> (159)
Megace, Megace ES

>  <Target> (159)
Androgen Receptor

>  <Form> (159)
Free Base

>  <URL> (159)
http://www.selleckchem.com/products/Megestrol-Acetate.html

>  <CAS Number> (159)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/10101813202D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
  4  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
M  END
>  <Mol_ID> (160)
245

>  <Formula> (160)
C5H4N4S

>  <MolWeight> (160)
152.17706

>  <Item Name> (160)
Mercaptopurine (6-MP)

>  <Catalog Number> (160)
S1305

>  <Synonyms> (160)
N/A

>  <Target> (160)
DNA/RNA Synthesis 

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
50-44-2

$$$$
Pamidronate Disodium.cdx
csChFnd80/10101813202D

 15 12  0  0  0  0  0  0  0  0999 V2000
    3.7772    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1772    1.5748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.9748    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.5647    2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0726    0.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    3.6748    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5647    3.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    4.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.8886    2.1874    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
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  5 10  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
M  END
>  <Mol_ID> (161)
246

>  <Formula> (161)
C3H9NNa2O7P2

>  <MolWeight> (161)
279.033122

>  <Item Name> (161)
Pamidronate Disodium

>  <Catalog Number> (161)
S1311

>  <Synonyms> (161)
Aredia

>  <Target> (161)
Others

>  <Form> (161)
Disodium salt

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

>  <CAS Number> (161)
57248-88-1

$$$$
Streptozocin.cdx
csChFnd80/10101813202D

 18 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5024    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
  4  8  1  1  0  0  0
  2  9  1  1  0  0  0
  5 10  1  6  0  0  0
  3 11  1  6  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 13 18  2  0  0  0  0
M  END
>  <Mol_ID> (162)
247

>  <Formula> (162)
C8H15N3O7

>  <MolWeight> (162)
265.2206

>  <Item Name> (162)
Streptozotocin (STZ)

>  <Catalog Number> (162)
S1312

>  <Synonyms> (162)
NSC-85998

>  <Target> (162)
DNA alkylator

>  <Form> (162)
Free Base

>  <URL> (162)
http://www.selleckchem.com/products/Streptozotocin.html

>  <CAS Number> (162)
18883-66-4

$$$$
Dexamethasone.cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  2  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (163)
253

>  <Formula> (163)
C22H29FO5

>  <MolWeight> (163)
392.4610632

>  <Item Name> (163)
Dexamethasone

>  <Catalog Number> (163)
S1322

>  <Synonyms> (163)
Decadron

>  <Target> (163)
IL Receptor

>  <Form> (163)
Free Base

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

>  <CAS Number> (163)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/10101813202D

 38 41  0  0  0  0  0  0  0  0999 V2000
    4.8927    6.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    8.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    8.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    6.7991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    5.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    5.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    4.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    4.3742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    5.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2927    6.7991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    9.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927   10.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4879    4.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5830    5.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2806    6.7949    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2806    4.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3806    8.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 10  1  1  0  0  0  0
  7 11  1  0  0  0  0
  3 12  1  0  0  0  0
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  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
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 22 24  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 23  1  0  0  0  0
 27 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
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 34 37  2  0  0  0  0
 34 38  1  0  0  0  0
M  END
>  <Mol_ID> (164)
254

>  <Formula> (164)
C24H29N5O8S

>  <MolWeight> (164)
547.58076

>  <Item Name> (164)
Doxazosin mesylate

>  <Catalog Number> (164)
S1324

>  <Synonyms> (164)
Cardura, Carduran 

>  <Target> (164)
Adrenergic Receptor

>  <Form> (164)
Mesylate

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

>  <CAS Number> (164)
77883-43-3

$$$$
Ellagic acid.cdx
csChFnd80/10101813202D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (165)
255

>  <Formula> (165)
C14H6O8

>  <MolWeight> (165)
302.19264

>  <Item Name> (165)
Ellagic acid

>  <Catalog Number> (165)
S1327

>  <Synonyms> (165)
N/A

>  <Target> (165)
Topoisomerases

>  <Form> (165)
Free Base

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

>  <CAS Number> (165)
476-66-4

$$$$
Etodolac.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
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 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (166)
256

>  <Formula> (166)
C17H21NO3

>  <MolWeight> (166)
287.35354

>  <Item Name> (166)
Etodolac (Lodine)

>  <Catalog Number> (166)
S1328

>  <Synonyms> (166)
Lodine, Lodine XL

>  <Target> (166)
COX
COX

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.0189    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1287    1.8306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3861    3.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1647    3.6032    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.0501    5.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (167)
257

>  <Formula> (167)
C14H16N2O2

>  <MolWeight> (167)
244.28904

>  <Item Name> (167)
Etomidate

>  <Catalog Number> (167)
S1329

>  <Synonyms> (167)
Amidate

>  <Target> (167)
GABA Receptor

>  <Form> (167)
Free Base

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

>  <CAS Number> (167)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.1000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0024    9.4777    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.6364    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  1  2  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (168)
258

>  <Formula> (168)
C13H12F2N6O

>  <MolWeight> (168)
306.2707864

>  <Item Name> (168)
Fluconazole

>  <Catalog Number> (168)
S1331

>  <Synonyms> (168)
UK 49858

>  <Target> (168)
P450 (e.g. CYP17)

>  <Form> (168)
Free Base

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

>  <CAS Number> (168)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (169)
259

>  <Formula> (169)
C15H14FN3O3

>  <MolWeight> (169)
303.2883632

>  <Item Name> (169)
Flumazenil

>  <Catalog Number> (169)
S1332

>  <Synonyms> (169)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (169)
GABA Receptor

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/10101813202D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (170)
260

>  <Formula> (170)
C17H19ClF3NO

>  <MolWeight> (170)
345.7870696

>  <Item Name> (170)
Fluoxetine  HCl

>  <Catalog Number> (170)
S1333

>  <Synonyms> (170)
Prozac, Sarafem

>  <Target> (170)
5-HT Receptor

>  <Form> (170)
Hydrochloride

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

>  <CAS Number> (170)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/10101813202D

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    4.9122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.8968    4.7231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8902    3.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2425    4.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5279    2.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2359    3.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5882    3.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5781    2.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9505    4.8133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 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
  1 22  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  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (171)
261

>  <Formula> (171)
C19H21FN4O6

>  <MolWeight> (171)
420.3916432

>  <Item Name> (171)
Flupirtine maleate

>  <Catalog Number> (171)
S1334

>  <Synonyms> (171)
Katadolon

>  <Target> (171)
Antimetabolites

>  <Form> (171)
Maleate

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

>  <CAS Number> (171)
75507-68-5

$$$$
Gabapentin hcl.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5689    4.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    0.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    2.4150    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (172)
262

>  <Formula> (172)
C9H18ClNO2

>  <MolWeight> (172)
207.69772

>  <Item Name> (172)
Gabapentin Hydrochloride

>  <Catalog Number> (172)
S1338

>  <Synonyms> (172)
Gabarone, Neurontin

>  <Target> (172)
GABA Receptor

>  <Form> (172)
Hydrochloride

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

>  <CAS Number> (172)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    5.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    4.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    4.4562    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7085    5.8486    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4295    6.4180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6947    3.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9737    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1200    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9874    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    6.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    3.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2621    1.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5450    1.3779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7634    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6984    2.2839    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  1  0  0  0
  6 17  1  0  0  0  0
  7 18  1  6  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (173)
263

>  <Formula> (173)
C17H22BrNO3

>  <MolWeight> (173)
368.26548

>  <Item Name> (173)
Galanthamine hydrobromide

>  <Catalog Number> (173)
S1339

>  <Synonyms> (173)
Reminyl

>  <Target> (173)
AChR
mAChRs

>  <Form> (173)
Hydrobromide

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

>  <CAS Number> (173)
1953-04-4

$$$$
Gatifloxacin.cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1828    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4207    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 12  2  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 15  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 11 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 11  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (174)
264

>  <Formula> (174)
C19H22FN3O4

>  <MolWeight> (174)
375.3940832

>  <Item Name> (174)
Gatifloxacin

>  <Catalog Number> (174)
S1340

>  <Synonyms> (174)
AM-1155, CG5501, BMS-206584

>  <Target> (174)
Topoisomerase

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (175)
265

>  <Formula> (175)
C15H10O5

>  <MolWeight> (175)
270.2369

>  <Item Name> (175)
Genistein

>  <Catalog Number> (175)
S1342

>  <Synonyms> (175)
N/A

>  <Target> (175)
Topoisomerase
EGFR

>  <Form> (175)
Free Base

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

>  <CAS Number> (175)
446-72-0

$$$$
Glimepiride.cdx
csChFnd80/10101813202D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5406    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7531    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3820    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7984    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5902    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0066    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (176)
267

>  <Formula> (176)
C24H34N4O5S

>  <MolWeight> (176)
490.61556

>  <Item Name> (176)
Glimepiride

>  <Catalog Number> (176)
S1344

>  <Synonyms> (176)
Amaryl, Glista OD

>  <Target> (176)
DPP-4

>  <Form> (176)
Free Base

>  <URL> (176)
http://www.selleckchem.com/products/Glimepiride.html

>  <CAS Number> (176)
93479-97-1

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (177)
268

>  <Formula> (177)
C18H25ClN4O

>  <MolWeight> (177)
348.8703

>  <Item Name> (177)
Granisetron HCl

>  <Catalog Number> (177)
S1345

>  <Synonyms> (177)
Kytril

>  <Target> (177)
5-HT Receptor

>  <Form> (177)
Hydrochloride

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

>  <CAS Number> (177)
107007-99-8

$$$$
TG100-115.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 15  2  0  0  0  0
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M  END
>  <Mol_ID> (178)
269

>  <Formula> (178)
C18H14N6O2

>  <MolWeight> (178)
346.34276

>  <Item Name> (178)
TG100-115

>  <Catalog Number> (178)
S1352

>  <Synonyms> (178)
N/A

>  <Target> (178)
PI3K

>  <Form> (178)
Free Base

>  <URL> (178)
http://www.selleckchem.com/products/TG100-115.html

>  <CAS Number> (178)
677297-51-7

$$$$
Ketoconazole.cdx
csChFnd80/10101813202D

 36 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
270

>  <Formula> (179)
C26H28Cl2N4O4

>  <MolWeight> (179)
531.43092

>  <Item Name> (179)
Ketoconazole

>  <Catalog Number> (179)
S1353

>  <Synonyms> (179)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (179)
P450

>  <Form> (179)
Free Base

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

>  <CAS Number> (179)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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271

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Lansoprazole

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S1354

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Prevacid, Prevacid NapraPAC, Prevacid SoluTab

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Proton Pump

>  <Form> (180)
Free Base

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

>  <CAS Number> (180)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/10101813202D

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S1356

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UCB-L059, SIB-S1

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Calcium Channel

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Free Base

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

>  <CAS Number> (181)
102767-28-2

$$$$
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csChFnd80/10101813202D

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C22H23ClN2O2

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Loratadine

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S1358

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Alavert, Claritin

>  <Target> (182)
Histamine Receptor

>  <Form> (182)
Free Base

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

>  <CAS Number> (182)
79794-75-5

$$$$
mgcd265.cdx
csChFnd80/10101813202D

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c-Met, VEGFR, Tie-2 

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>  <URL> (183)
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>  <CAS Number> (183)
875337-44-3

$$$$
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ON-01910

>  <Target> (184)
PLK

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Sodium Salt

>  <URL> (184)
http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (184)
1225497-78-8

$$$$
EpothiloneB.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (185)
278

>  <Formula> (185)
C27H41NO6S

>  <MolWeight> (185)
507.68254

>  <Item Name> (185)
Patupilone (EPO906, Epothilone B)

>  <Catalog Number> (185)
S1364

>  <Synonyms> (185)
N/A 

>  <Target> (185)
Microtubule Associated

>  <Form> (185)
Free Base

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

>  <CAS Number> (185)
152044-54-7

$$$$
BMS707035.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (186)
280

>  <Formula> (186)
C17H19FN4O5S

>  <MolWeight> (186)
410.4199632

>  <Item Name> (186)
BMS-707035

>  <Catalog Number> (186)
S1366

>  <Synonyms> (186)
N/A

>  <Target> (186)
Integrase

>  <Form> (186)
Free Base

>  <URL> (186)
http://www.selleckchem.com/products/BMS-707035.html

>  <CAS Number> (186)
729607-74-3

$$$$
Amonafide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (187)
281

>  <Formula> (187)
C16H17N3O2

>  <MolWeight> (187)
283.32508

>  <Item Name> (187)
Amonafide

>  <Catalog Number> (187)
S1367

>  <Synonyms> (187)
AS1413, Xanafide, Quinamed

>  <Target> (187)
Topoisomerase

>  <Form> (187)
Free Base

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

>  <CAS Number> (187)
69408-81-7

$$$$
Acitretin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (188)
282

>  <Formula> (188)
C21H26O3

>  <MolWeight> (188)
326.42934

>  <Item Name> (188)
Acitretin

>  <Catalog Number> (188)
S1368

>  <Synonyms> (188)
Etretin, RO 10-1670

>  <Target> (188)
Retinoid Receptor

>  <Form> (188)
Free Base

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

>  <CAS Number> (188)
55079-83-9

$$$$
Dorzolamide HCL.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (189)
284

>  <Formula> (189)
C10H17ClN2O4S3

>  <MolWeight> (189)
360.90098

>  <Item Name> (189)
Dorzolamide HCL

>  <Catalog Number> (189)
S1375

>  <Synonyms> (189)
Trusopt, Cosopt

>  <Target> (189)
Carbonic Anhydrase

>  <Form> (189)
Hydrochloride

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

>  <CAS Number> (189)
130693-82-2

$$$$
Gestodene.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (190)
285

>  <Formula> (190)
C21H26O2

>  <MolWeight> (190)
310.42994

>  <Item Name> (190)
Gestodene

>  <Catalog Number> (190)
S1376

>  <Synonyms> (190)
N/A

>  <Target> (190)
Estrogen/progestogen Receptor

>  <Form> (190)
Free Base

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

>  <CAS Number> (190)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (191)
286

>  <Formula> (191)
C24H30O3

>  <MolWeight> (191)
366.4932

>  <Item Name> (191)
Drospirenone

>  <Catalog Number> (191)
S1377

>  <Synonyms> (191)
Angeliq

>  <Target> (191)
Estrogen/progestogen Receptor

>  <Form> (191)
Free Base

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

>  <CAS Number> (191)
67392-87-4

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (192)
287

>  <Formula> (192)
C37H48N4O5

>  <MolWeight> (192)
628.80082

>  <Item Name> (192)
Lopinavir (ABT-378)

>  <Catalog Number> (192)
S1380

>  <Synonyms> (192)
ABT-378

>  <Target> (192)
HIV Protease

>  <Form> (192)
Free Base

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

>  <CAS Number> (192)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (193)
288

>  <Formula> (193)
C17H25N3O5S

>  <MolWeight> (193)
383.4625

>  <Item Name> (193)
Meropenem

>  <Catalog Number> (193)
S1381

>  <Synonyms> (193)
SM 7338

>  <Target> (193)
Antifection

>  <Form> (193)
Free Base

>  <URL> (193)
http://www.selleckchem.com/products/Meropenem.html

>  <CAS Number> (193)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (194)
289

>  <Formula> (194)
C18H21ClN2

>  <MolWeight> (194)
300.82574

>  <Item Name> (194)
Mianserin HCl

>  <Catalog Number> (194)
S1382

>  <Synonyms> (194)
ORG GB-94 HCl

>  <Target> (194)
Histamine Receptor(HT receptor)

>  <Form> (194)
Hydrochloride

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

>  <CAS Number> (194)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (195)
291

>  <Formula> (195)
C9H13N3O6

>  <MolWeight> (195)
259.21602

>  <Item Name> (195)
Mizoribine (Bredinin)

>  <Catalog Number> (195)
S1384

>  <Synonyms> (195)
HE 69

>  <Target> (195)
DNA/RNA Synthesis

>  <Form> (195)
Free Base

>  <URL> (195)
http://www.selleckchem.com/products/Mizoribine.html

>  <CAS Number> (195)
50924-49-7

$$$$
Mosapride citrate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (196)
292

>  <Formula> (196)
C27H33ClFN3O10

>  <MolWeight> (196)
614.0164232

>  <Item Name> (196)
Mosapride citrate

>  <Catalog Number> (196)
S1385

>  <Synonyms> (196)
TAK-370, AS-4370, Gasmot

>  <Target> (196)
5-HT Receptor

>  <Form> (196)
Citrate

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

>  <CAS Number> (196)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (197)
293

>  <Formula> (197)
C21H25N5O8S2

>  <MolWeight> (197)
539.5819

>  <Item Name> (197)
Nafamostat mesylate

>  <Catalog Number> (197)
S1386

>  <Synonyms> (197)
Futhan, FUT-175

>  <Target> (197)
Proteasome

>  <Form> (197)
Dimesylate

>  <URL> (197)
http://www.selleckchem.com/products/Nafamostat-mesylate.html

>  <CAS Number> (197)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/10101813202D

 31 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (198)
294

>  <Formula> (198)
C24H30Cl2N2O3

>  <MolWeight> (198)
465.4126

>  <Item Name> (198)
Naftopidil Dihydrochloride

>  <Catalog Number> (198)
S1387

>  <Synonyms> (198)
Flivas, KT-611, Avishot 

>  <Target> (198)
Adrenergic Receptor

>  <Form> (198)
Dihydrochloride

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

>  <CAS Number> (198)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (199)
295

>  <Formula> (199)
C17H19N3O3S

>  <MolWeight> (199)
345.41606

>  <Item Name> (199)
Omeprazole (Prilosec)

>  <Catalog Number> (199)
S1389

>  <Synonyms> (199)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (199)
Proton Pump, ATPase

>  <Form> (199)
Free Base

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

>  <CAS Number> (199)
73590-58-6

$$$$
Pelitinib.cdx
csChFnd80/10101813202D

 33 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (200)
297

>  <Formula> (200)
C24H23ClFN5O2

>  <MolWeight> (200)
467.9231232

>  <Item Name> (200)
Pelitinib (EKB-569)

>  <Catalog Number> (200)
S1392

>  <Synonyms> (200)
WAY-EKB 569

>  <Target> (200)
EGFR

>  <Form> (200)
Free Base

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

>  <CAS Number> (200)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (201)
298

>  <Formula> (201)
C23H27NO5S

>  <MolWeight> (201)
429.52918

>  <Item Name> (201)
Pizotifen malate

>  <Catalog Number> (201)
S1394

>  <Synonyms> (201)
BC-105

>  <Target> (201)
5-HT Receptor

>  <Form> (201)
Malate

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

>  <CAS Number> (201)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (202)
299

>  <Formula> (202)
C14H12O3

>  <MolWeight> (202)
228.24328

>  <Item Name> (202)
Resveratrol

>  <Catalog Number> (202)
S1396

>  <Synonyms> (202)
N/A

>  <Target> (202)
Sirtuin

>  <Form> (202)
Free Base

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

>  <CAS Number> (202)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (203)
300

>  <Formula> (203)
C32H53BrN2O4

>  <MolWeight> (203)
609.67822

>  <Item Name> (203)
Rocuronium bromide

>  <Catalog Number> (203)
S1397

>  <Synonyms> (203)
Zemuron, Esmeron

>  <Target> (203)
AChR

>  <Form> (203)
Bromide

>  <URL> (203)
http://www.selleckchem.com/products/Rocuronium-bromide.html

>  <CAS Number> (203)
119302-91-9

$$$$

csChFnd80/10101813202D

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M  END
>  <Mol_ID> (204)
301

>  <Formula> (204)
C23H34N5O14P

>  <MolWeight> (204)
635.514921

>  <Item Name> (204)
Tenofovir Disoproxil Fumarate

>  <Catalog Number> (204)
S1400

>  <Synonyms> (204)
Viread

>  <Target> (204)
Reverse Transcriptase

>  <Form> (204)
Fumarate

>  <URL> (204)
http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

>  <CAS Number> (204)
202138-50-9

$$$$
Tenofovir(PMPA).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (205)
302

>  <Formula> (205)
C9H14N5O4P

>  <MolWeight> (205)
287.212321

>  <Item Name> (205)
Tenofovir (Viread)

>  <Catalog Number> (205)
S1401

>  <Synonyms> (205)
Viread

>  <Target> (205)
Reverse Transcriptase

>  <Form> (205)
Free Base

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

>  <CAS Number> (205)
147127-20-6

$$$$
S1130.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (206)
303

>  <Formula> (206)
C20H19BrN4O3

>  <MolWeight> (206)
443.29386

>  <Item Name> (206)
YM155 (Sepantronium Bromide)

>  <Catalog Number> (206)
S1130

>  <Synonyms> (206)
N/A

>  <Target> (206)
Survivin

>  <Form> (206)
Bromide

>  <URL> (206)
http://www.selleckchem.com/products/YM155.html

>  <CAS Number> (206)
781661-94-7

$$$$
Tigecycline.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (207)
304

>  <Formula> (207)
C29H39N5O8

>  <MolWeight> (207)
585.64866

>  <Item Name> (207)
Tigecycline

>  <Catalog Number> (207)
S1403

>  <Synonyms> (207)
Tygacil, GAR-936, WAY-GAR-936, TBG-MINO

>  <Target> (207)
Antifection

>  <Form> (207)
Free Base

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

>  <CAS Number> (207)
220620-09-7

$$$$
Trilostane.cdx
csChFnd80/10101813202D

 28 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (208)
305

>  <Formula> (208)
C20H27NO3

>  <MolWeight> (208)
329.43328

>  <Item Name> (208)
Trilostane

>  <Catalog Number> (208)
S1404

>  <Synonyms> (208)
Vetoryl

>  <Target> (208)
Dehydrogenase

>  <Form> (208)
Free Base

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

>  <CAS Number> (208)
13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/10101813202D

 45 49  0  0  0  0  0  0  0  0999 V2000
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 35 37  2  0  0  0  0
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 43 38  1  0  0  0  0
 38 44  1  0  0  0  0
M  END
>  <Mol_ID> (209)
306

>  <Formula> (209)
C34H57BrN2O4

>  <MolWeight> (209)
637.73138

>  <Item Name> (209)
Vecuronium Bromide

>  <Catalog Number> (209)
S1405

>  <Synonyms> (209)
Norcuron, Org NC 45

>  <Target> (209)
AChR

>  <Form> (209)
Bromide

>  <URL> (209)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (209)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
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  8  9  1  0  0  0  0
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 13 12  1  1  0  0  0
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 17 13  1  0  0  0  0
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 15 19  1  6  0  0  0
 14 20  1  6  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  1  0  0  0  0
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 25 26  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (210)
307

>  <Formula> (210)
C25H37NO4

>  <MolWeight> (210)
415.56558

>  <Item Name> (210)
Bimatoprost

>  <Catalog Number> (210)
S1407

>  <Synonyms> (210)
Lumigan

>  <Target> (210)
Immunology & Inflammation related

>  <Form> (210)
Free Base

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

>  <CAS Number> (210)
155206-00-1

$$$$
Linezolid.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  3 14  1  0  0  0  0
  7 15  1  0  0  0  0
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 18  7  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
>  <Mol_ID> (211)
308

>  <Formula> (211)
C16H20FN3O4

>  <MolWeight> (211)
337.3461032

>  <Item Name> (211)
Linezolid (Zyvox)

>  <Catalog Number> (211)
S1408

>  <Synonyms> (211)
Zyvoxid, Zyvoxam

>  <Target> (211)
Antifection

>  <Form> (211)
Free Base

>  <URL> (211)
http://www.selleckchem.com/products/Linezolid(Zyvox).html

>  <CAS Number> (211)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    3.6331    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    3.9521    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> (212)
309

>  <Formula> (212)
C19H28ClN5O4

>  <MolWeight> (212)
425.90972

>  <Item Name> (212)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (212)
S1409

>  <Synonyms> (212)
Uroxatral

>  <Target> (212)
Adrenergic Receptor

>  <Form> (212)
Hydrochloride

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

>  <CAS Number> (212)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (213)
312

>  <Formula> (213)
C16H18ClNO6S2

>  <MolWeight> (213)
419.90022

>  <Item Name> (213)
Clopidogrel (Plavix)

>  <Catalog Number> (213)
S1415

>  <Synonyms> (213)
Iscover 

>  <Target> (213)
P2 Receptor

>  <Form> (213)
Sulfate

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

>  <CAS Number> (213)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/10101813202D

 10  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (214)
313

>  <Formula> (214)
C5H10ClNO3

>  <MolWeight> (214)
167.5908

>  <Item Name> (214)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (214)
S2553

>  <Synonyms> (214)
Levulan, ALA

>  <Target> (214)
Others

>  <Form> (214)
Hydrochloride

>  <URL> (214)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (214)
5451-09-2

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/10101813202D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (215)
315

>  <Formula> (215)
C24H35Cl2N3O4

>  <MolWeight> (215)
500.4584

>  <Item Name> (215)
Ranolazine dihydrochloride

>  <Catalog Number> (215)
S1425

>  <Synonyms> (215)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (215)
Calcium Channel

>  <Form> (215)
Dihydrochloride

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

>  <CAS Number> (215)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/10101813202D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6742    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0907    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5402    6.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8825    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0907    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (216)
316

>  <Formula> (216)
C27H36N2O4

>  <MolWeight> (216)
452.58574

>  <Item Name> (216)
Repaglinide

>  <Catalog Number> (216)
S1426

>  <Synonyms> (216)
Prandin, GlucoNorm, NovoNorm

>  <Target> (216)
Potassium Channel

>  <Form> (216)
Free Base

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

>  <CAS Number> (216)
135062-02-1

$$$$
Rolipram.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7761    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5761    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8761    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4761    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5737    4.8413    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3810    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9660    4.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2571    6.3571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0447    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    3.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8988    8.4446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7785    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    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
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  9  1  0  0  0  0
 12 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (217)
318

>  <Formula> (217)
C16H21NO3

>  <MolWeight> (217)
275.34284

>  <Item Name> (217)
Rolipram

>  <Catalog Number> (217)
S1430

>  <Synonyms> (217)
N/A

>  <Target> (217)
PDE

>  <Form> (217)
Free Base

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

>  <CAS Number> (217)
61413-54-5

$$$$

csChFnd80/10101813202D

 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
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   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
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   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
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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
 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
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 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 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> (218)
321

>  <Formula> (218)
C18H27N3O6S

>  <MolWeight> (218)
413.48848

>  <Item Name> (218)
Sumatriptan succinate

>  <Catalog Number> (218)
S1432

>  <Synonyms> (218)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (218)
5-HT Receptor

>  <Form> (218)
Succinate

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

>  <CAS Number> (218)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    7.8404   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349    8.4457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2998    8.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9073   10.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998   11.2799    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9349   11.5915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0885    7.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    7.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0920    8.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3034   10.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245   12.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2998   12.6799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   11.6423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279   11.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155   10.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4155    9.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6279    8.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    7.0855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2913    6.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9809    5.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6477    4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373    3.5428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0041    3.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6937    1.7714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3378    2.3091    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8964    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.4832    9.0707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  2  0  0  0  0
  7 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  2  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 10 30  1  0  0  0  0
M  END
>  <Mol_ID> (219)
322

>  <Formula> (219)
C21H24ClN2NaO4S

>  <MolWeight> (219)
458.93403

>  <Item Name> (219)
Tianeptine sodium

>  <Catalog Number> (219)
S1436

>  <Synonyms> (219)
Stablon, Coaxil, Tatinol

>  <Target> (219)
5-HT Receptor

>  <Form> (219)
Sodium Salt

>  <URL> (219)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (219)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7240    3.0357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4240    1.8233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    1.8233    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5240    3.0357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8240    4.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5139    4.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7608    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0397    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8934    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3920    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4021    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615    3.6646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    4.6511    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    4.2900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    6.0511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8480    3.2511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546    2.7446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4872    0.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0382    2.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  1  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  2  0  0  0  0
  1 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  2 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (220)
323

>  <Formula> (220)
C12H21NO8S

>  <MolWeight> (220)
339.36204

>  <Item Name> (220)
Topiramate

>  <Catalog Number> (220)
S1438

>  <Synonyms> (220)
Topamax

>  <Target> (220)
Carbonic Anhydrase

>  <Form> (220)
Free Base

>  <URL> (220)
http://www.selleckchem.com/products/Topiramate.html

>  <CAS Number> (220)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/10101813202D

 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> (221)
324

>  <Formula> (221)
C18H17NO5

>  <MolWeight> (221)
327.33128

>  <Item Name> (221)
Tranilast (SB 252218)

>  <Catalog Number> (221)
S1439

>  <Synonyms> (221)
Rizaben, MK 341, Tranpro

>  <Target> (221)
Immunology & Inflammation related

>  <Form> (221)
Free Base

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

>  <CAS Number> (221)
53902-12-8
53902-12-8

$$$$
Varenicline tartrate.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
   11.9597    2.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    3.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7515    3.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9597    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    2.4661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.5886    3.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7968    2.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1721    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3804    1.0709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5886    4.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875    1.5303    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3846    1.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9829    2.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2659    2.8430    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6875    4.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5515    2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9952    1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3055    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859    3.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7906    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    2.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9894    0.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9935    4.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    4.3567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7970    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  6  0  0  0
  5  9  1  6  0  0  0
  6 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 12  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (222)
325

>  <Formula> (222)
C17H19N3O6

>  <MolWeight> (222)
361.34926

>  <Item Name> (222)
Varenicline tartrate

>  <Catalog Number> (222)
S1440

>  <Synonyms> (222)
Chantix, Champix

>  <Target> (222)
AChR

>  <Form> (222)
Tartrate

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

>  <CAS Number> (222)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
    2.0115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4322    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2240    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8075    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2358    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (223)
326

>  <Formula> (223)
C17H28ClNO2

>  <MolWeight> (223)
313.86272

>  <Item Name> (223)
Venlafaxine HCl

>  <Catalog Number> (223)
S1441

>  <Synonyms> (223)
Effexor, Efexor 

>  <Target> (223)
5-HT Receptor

>  <Form> (223)
Hydrochloride

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

>  <CAS Number> (223)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (224)
327

>  <Formula> (224)
C16H14F3N5O

>  <MolWeight> (224)
349.3104696

>  <Item Name> (224)
Voriconazole

>  <Catalog Number> (224)
S1442

>  <Synonyms> (224)
Vfend

>  <Target> (224)
P450

>  <Form> (224)
Free Base

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

>  <CAS Number> (224)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (225)
328

>  <Formula> (225)
C11H12N2O2S

>  <MolWeight> (225)
236.29018

>  <Item Name> (225)
Zileuton

>  <Catalog Number> (225)
S1443

>  <Synonyms> (225)
ZYFLO

>  <Target> (225)
Lipoxygenase

>  <Form> (225)
Free Base

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

>  <CAS Number> (225)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (226)
329

>  <Formula> (226)
C21H22Cl2N4OS

>  <MolWeight> (226)
449.39658

>  <Item Name> (226)
Ziprasidone hydrochloride

>  <Catalog Number> (226)
S1444

>  <Synonyms> (226)
Geodon, Zeldox

>  <Target> (226)
5-HT Receptor,Dopamine Receptor

>  <Form> (226)
Hydrochloride

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

>  <CAS Number> (226)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (227)
330

>  <Formula> (227)
C8H8N2O3S

>  <MolWeight> (227)
212.22572

>  <Item Name> (227)
Zonisamide

>  <Catalog Number> (227)
S1445

>  <Synonyms> (227)
Zonegran

>  <Target> (227)
Sodium Channel

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/Zonisamide.html

>  <CAS Number> (227)
68291-97-4

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/10101813202D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (228)
334

>  <Formula> (228)
C30H33ClN4O2

>  <MolWeight> (228)
517.06162

>  <Item Name> (228)
Ispinesib (SB-715992)

>  <Catalog Number> (228)
S1452

>  <Synonyms> (228)
N/A 

>  <Target> (228)
Kinesin

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/Ispinesib-mesilate(SB-715992).html

>  <CAS Number> (228)
336113-53-2

$$$$
Tipifarnib.cdx
csChFnd80/10101813202D

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346

>  <Formula> (233)
C28H44O2

>  <MolWeight> (233)
412.64776

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Doxercalciferol (Hectorol)

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S1467

>  <Synonyms> (233)
Hectorol

>  <Target> (233)
Vitamin

>  <Form> (233)
Free Base

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

>  <CAS Number> (233)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/10101813202D

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347

>  <Formula> (234)
C27H44O2

>  <MolWeight> (234)
400.63706

>  <Item Name> (234)
Alfacalcidol

>  <Catalog Number> (234)
S1468

>  <Synonyms> (234)
Alpha D3, Etalpha

>  <Target> (234)
Vitamin

>  <Form> (234)
Free Base

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

>  <CAS Number> (234)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (235)
348

>  <Formula> (235)
C21H25ClFN3O4

>  <MolWeight> (235)
437.8923032

>  <Item Name> (235)
Moxifloxacin hydrochloride

>  <Catalog Number> (235)
S1465

>  <Synonyms> (235)
Avelox, Avalox

>  <Target> (235)
Topoisomerase

>  <Form> (235)
Hydrochloride

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

>  <CAS Number> (235)
186826-86-8

$$$$
TSU-68 (SU6668).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (236)
350

>  <Formula> (236)
C18H18N2O3

>  <MolWeight> (236)
310.34712

>  <Item Name> (236)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (236)
S1470

>  <Synonyms> (236)
NSC 702827

>  <Target> (236)
VEGFR, PDGFR , FGFR 

>  <Form> (236)
Free Base

>  <URL> (236)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (236)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/10101813202D

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351

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>  <Item Name> (237)
Safinamide Mesylate (FCE28073)

>  <Catalog Number> (237)
S1472

>  <Synonyms> (237)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (237)
MAO

>  <Form> (237)
Mesylate

>  <URL> (237)
http://www.selleckchem.com/products/Safinamide-mesilate.html

>  <CAS Number> (237)
202825-46-5

$$$$
AS-703026.cdx
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>  <Mol_ID> (238)
353

>  <Formula> (238)
C15H15FIN3O3

>  <MolWeight> (238)
431.2007732

>  <Item Name> (238)
Pimasertib (AS-703026)

>  <Catalog Number> (238)
S1475

>  <Synonyms> (238)
MSC1936369B, SAR 245509

>  <Target> (238)
MEK 

>  <Form> (238)
Free Base

>  <URL> (238)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (238)
1236699-92-5

$$$$
VX-222.cdx
csChFnd80/10101813202D

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356

>  <Formula> (239)
C25H35NO4S

>  <MolWeight> (239)
445.6147

>  <Item Name> (239)
Lomibuvir (VX-222, VCH-222)

>  <Catalog Number> (239)
S1480

>  <Synonyms> (239)
N/A

>  <Target> (239)
HCV Protease

>  <Form> (239)
Free Base

>  <URL> (239)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (239)
1026785-55-6

$$$$
LY-335979.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (240)
357

>  <Formula> (240)
C32H34Cl3F2N3O2

>  <MolWeight> (240)
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>  <Item Name> (240)
LY335979 (Zosuquidar trihydrochloride)

>  <Catalog Number> (240)
S1481

>  <Synonyms> (240)
RS-33295-198

>  <Target> (240)
P-gp

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Trihydrochlorid

>  <URL> (240)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (240)
167465-36-3

$$$$
BMS-790052.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (241)
358

>  <Formula> (241)
C40H50N8O6

>  <MolWeight> (241)
738.875

>  <Item Name> (241)
Daclatasvir (BMS-790052)

>  <Catalog Number> (241)
S1482

>  <Synonyms> (241)
N/A

>  <Target> (241)
HCV Protease

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (241)
1009119-64-5

$$$$
Iloperidone.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (242)
359

>  <Formula> (242)
C24H27FN2O4

>  <MolWeight> (242)
426.4805832

>  <Item Name> (242)
Iloperidone (Fanapt)

>  <Catalog Number> (242)
S1483

>  <Synonyms> (242)
Fanapta, Zomaril 

>  <Target> (242)
5-HT Receptor

>  <Form> (242)
Free Base

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

>  <CAS Number> (242)
133454-47-4

$$$$
AEE-788.cdx
csChFnd80/10101813202D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (243)
362

>  <Formula> (243)
C27H32N6

>  <MolWeight> (243)
440.58318

>  <Item Name> (243)
AEE788 (NVP-AEE788)

>  <Catalog Number> (243)
S1486

>  <Synonyms> (243)
N/A 

>  <Target> (243)
EGFR, Flt, VEGFR, HER2

>  <Form> (243)
Free Base

>  <URL> (243)
http://www.selleckchem.com/products/AEE788.html

>  <CAS Number> (243)
497839-62-0

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (244)
364

>  <Formula> (244)
C17H26ClN3O2S

>  <MolWeight> (244)
371.92524

>  <Item Name> (244)
Naratriptan HCl

>  <Catalog Number> (244)
S1488 

>  <Synonyms> (244)
Amerge, Naramig

>  <Target> (244)
5-HT Receptor

>  <Form> (244)
Hydrochloride

>  <URL> (244)
http://www.selleckchem.com/products/Naratriptan(Amerge).html

>  <CAS Number> (244)
143388-64-1

$$$$
AP24534.cdx
csChFnd80/10101813202D

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366

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C29H27F3N6O

>  <MolWeight> (245)
532.5594896

>  <Item Name> (245)
Ponatinib (AP24534)

>  <Catalog Number> (245)
S1490

>  <Synonyms> (245)
N/A 

>  <Target> (245)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (245)
Free Base

>  <URL> (245)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (245)
943319-70-8

$$$$
LY2228820.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (246)
368

>  <Formula> (246)
C26H37FN6O6S2

>  <MolWeight> (246)
612.7369832

>  <Item Name> (246)
LY2228820

>  <Catalog Number> (246)
S1494

>  <Synonyms> (246)
N/A

>  <Target> (246)
p38 MAPK

>  <Form> (246)
Dimesylate

>  <URL> (246)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (246)
862507-23-1

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (247)
371

>  <Formula> (247)
C23H31NO7

>  <MolWeight> (247)
433.49474

>  <Item Name> (247)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (247)
S1501

>  <Synonyms> (247)
CellCept, RS 61443, TM-MMF

>  <Target> (247)
Dehydrogenase

>  <Form> (247)
Free Base

>  <URL> (247)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (247)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (248)
372

>  <Formula> (248)
C10H14N4O4

>  <MolWeight> (248)
254.24256

>  <Item Name> (248)
Dyphylline (Dilor)

>  <Catalog Number> (248)
S1504

>  <Synonyms> (248)
Neothylline, Lufyllin, diprophylline

>  <Target> (248)
PDE

>  <Form> (248)
Free Base

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

>  <CAS Number> (248)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (249)
373

>  <Formula> (249)
C13H17N5O8S2

>  <MolWeight> (249)
435.43278

>  <Item Name> (249)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (249)
S1505

>  <Synonyms> (249)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (249)
Antifection

>  <Form> (249)
Free Base

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

>  <CAS Number> (249)
78110-38-0

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (250)
374

>  <Formula> (250)
C23H43N3O5

>  <MolWeight> (250)
441.60462

>  <Item Name> (250)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (250)
S1506

>  <Synonyms> (250)
Perindopril, Coversyl

>  <Target> (250)
RAAS

>  <Form> (250)
t-Butylamine

>  <URL> (250)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (250)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/10101813202D

 32 36  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (251)
375

>  <Formula> (251)
C25H28N6O

>  <MolWeight> (251)
428.52942

>  <Item Name> (251)
Irbesartan (Avapro)

>  <Catalog Number> (251)
S1507

>  <Synonyms> (251)
BMS-186295, SR-47436                                                                          

>  <Target> (251)
RAAS

>  <Form> (251)
Free Base

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

>  <CAS Number> (251)
138402-11-6

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (252)
376

>  <Formula> (252)
C16H18FN3O3

>  <MolWeight> (252)
319.3308232

>  <Item Name> (252)
Norfloxacin (Norxacin)

>  <Catalog Number> (252)
S1509

>  <Synonyms> (252)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (252)
Others

>  <Form> (252)
Free Base

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

>  <CAS Number> (252)
70458-96-7

$$$$
CIALIS (tadalafil).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (253)
377

>  <Formula> (253)
C22H19N3O4

>  <MolWeight> (253)
389.40396

>  <Item Name> (253)
Tadalafil (Cialis)

>  <Catalog Number> (253)
S1512

>  <Synonyms> (253)
IC 351

>  <Target> (253)
PDE

>  <Form> (253)
Free Base

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

>  <CAS Number> (253)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (254)
378

>  <Formula> (254)
C62H111N11O12

>  <MolWeight> (254)
1202.61124

>  <Item Name> (254)
Cyclosporine (Neoral)

>  <Catalog Number> (254)
S1514

>  <Synonyms> (254)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (254)
phosphatase

>  <Form> (254)
Free Base

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

>  <CAS Number> (254)
79217-60-0

$$$$
SB 939.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (255)
379

>  <Formula> (255)
C20H30N4O2

>  <MolWeight> (255)
358.4778

>  <Item Name> (255)
SB939 (Pracinostat)

>  <Catalog Number> (255)
S1515

>  <Synonyms> (255)
N/A 

>  <Target> (255)
HDAC

>  <Form> (255)
Free Base

>  <URL> (255)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (255)
929016-96-6

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (256)
381

>  <Formula> (256)
C19H32N2O4

>  <MolWeight> (256)
352.46838

>  <Item Name> (256)
Ibuprofen Lysine (NeoProfen)

>  <Catalog Number> (256)
S1518

>  <Synonyms> (256)
NeoProfen

>  <Target> (256)
COX

>  <Form> (256)
Lysine

>  <URL> (256)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (256)
57469-77-9

$$$$
XL-765.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (257)
385

>  <Formula> (257)
C31H29N5O6S

>  <MolWeight> (257)
599.65686

>  <Item Name> (257)
XL765

>  <Catalog Number> (257)
S1523

>  <Synonyms> (257)
N/A 

>  <Target> (257)
PI3K, mTOR

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/XL765(SAR245409).html#

>  <CAS Number> (257)
1349796-36-6

$$$$
MK-1775.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (258)
387

>  <Formula> (258)
C27H32N8O2

>  <MolWeight> (258)
500.59538

>  <Item Name> (258)
MK-1775

>  <Catalog Number> (258)
S1525

>  <Synonyms> (258)
N/A 

>  <Target> (258)
Wee1

>  <Form> (258)
Free Base

>  <URL> (258)
http://www.selleckchem.com/products/MK-1775.html

>  <CAS Number> (258)
955365-80-7

$$$$
AC220.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (259)
388

>  <Formula> (259)
C29H32N6O4S

>  <MolWeight> (259)
560.66718

>  <Item Name> (259)
Quizartinib (AC220)

>  <Catalog Number> (259)
S1526

>  <Synonyms> (259)
N/A 

>  <Target> (259)
Flt

>  <Form> (259)
Free Base

>  <URL> (259)
http://www.selleckchem.com/products/AC-220.html

>  <CAS Number> (259)
950769-58-1

$$$$
s4075.cdx
csChFnd80/10101813202D

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    4.5793    1.4000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
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    9.1585    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9461    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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 13  8  1  0  0  0  0
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 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (260)
389

>  <Formula> (260)
C10H8N2O2S2Zn

>  <MolWeight> (260)
317.70272

>  <Item Name> (260)
Zinc Pyrithione

>  <Catalog Number> (260)
S4075

>  <Synonyms> (260)
N/A

>  <Target> (260)
Proton Pump

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/zinc-pyrithione.html

>  <CAS Number> (260)
13463-41-7

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8165    3.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1165    4.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4411    2.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6494    3.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064    4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (261)
394

>  <Formula> (261)
C15H23ClN2O

>  <MolWeight> (261)
282.80892

>  <Item Name> (261)
Milnacipran HCl

>  <Catalog Number> (261)
S3140

>  <Synonyms> (261)
N/A

>  <Target> (261)
5-HT Receptor

>  <Form> (261)
HCl

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

>  <CAS Number> (261)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/10101813202D

 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
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  1  2  2  0  0  0  0
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 29 30  2  0  0  0  0
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M  END
>  <Mol_ID> (262)
395

>  <Formula> (262)
C28H31BrN2O2

>  <MolWeight> (262)
507.46194

>  <Item Name> (262)
Darifenacin HBr

>  <Catalog Number> (262)
S3144

>  <Synonyms> (262)
N/A 

>  <Target> (262)
AChR

>  <Form> (262)
HBr

>  <URL> (262)
http://www.selleckchem.com/products/darifenacin-hydrobromide.html

>  <CAS Number> (262)
133099-07-7

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
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M  END
>  <Mol_ID> (263)
396

>  <Formula> (263)
C16H22ClN3

>  <MolWeight> (263)
291.81898

>  <Item Name> (263)
Tripelennamine HCl

>  <Catalog Number> (263)
S3146

>  <Synonyms> (263)
N/A 

>  <Target> (263)
Histamine Receptor

>  <Form> (263)
HCl

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

>  <CAS Number> (263)
154-69-8

$$$$
DMXAA.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (264)
400

>  <Formula> (264)
C17H14O4

>  <MolWeight> (264)
282.29066

>  <Item Name> (264)
DMXAA (Vadimezan)

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S1537

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http://www.selleckchem.com/products/DMXAA(ASA404).html

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117570-53-3

$$$$
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Adenuric

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Others

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Free Base

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http://www.selleckchem.com/products/Febuxostat(Uloric).html

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144060-53-7

$$$$
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csChFnd80/10101813202D

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SGLT 

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>  <URL> (266)
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>  <CAS Number> (266)
461432-26-8

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csChFnd80/10101813202D

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PDE

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74150-27-9

$$$$
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M  END
>  <Mol_ID> (268)
405

>  <Formula> (268)
C47H73NO17

>  <MolWeight> (268)
924.07902

>  <Item Name> (268)
Amphotericin B

>  <Catalog Number> (268)
S1636

>  <Synonyms> (268)
N/A

>  <Target> (268)
Antifection

>  <Form> (268)
Free Base

>  <URL> (268)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (268)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (269)
406

>  <Formula> (269)
C22H25Cl2N3O

>  <MolWeight> (269)
418.3594

>  <Item Name> (269)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (269)
S2552 

>  <Synonyms> (269)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (269)
Histamine Receptor

>  <Form> (269)
Hydrochloride

>  <URL> (269)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (269)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (270)
407

>  <Formula> (270)
C38H69NO13

>  <MolWeight> (270)
747.95336

>  <Item Name> (270)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (270)
S2555

>  <Synonyms> (270)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (270)
P450

>  <Form> (270)
Free Base

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

>  <CAS Number> (270)
81103-11-9

$$$$
EX527.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (271)
409

>  <Formula> (271)
C13H13ClN2O

>  <MolWeight> (271)
248.70812

>  <Item Name> (271)
EX 527

>  <Catalog Number> (271)
S1541

>  <Synonyms> (271)
SEN0014196

>  <Target> (271)
Sirtuin

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/EX-527.html

>  <CAS Number> (271)
49843-98-3

$$$$

csChFnd80/10101813202D

 47 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (272)
411

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C28H38N12O6S

>  <MolWeight> (272)
670.74312

>  <Item Name> (272)
Abacavir sulfate

>  <Catalog Number> (272)
S3165

>  <Synonyms> (272)
N/A 

>  <Target> (272)
Reverse Transcriptase

>  <Form> (272)
Sulfate

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

>  <CAS Number> (272)
188062-50-2

$$$$
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csChFnd80/10101813202D

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M  END
>  <Mol_ID> (273)
412

>  <Formula> (273)
C22H45N5O14R

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>  <Item Name> (273)
Amikacin hydrate

>  <Catalog Number> (273)
S3122

>  <Synonyms> (273)
N/A 

>  <Target> (273)
Antifection

>  <Form> (273)
Hydrate

>  <URL> (273)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (273)
1257517-67-1

$$$$
BMS777607.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (274)
416

>  <Formula> (274)
C25H19ClF2N4O4

>  <MolWeight> (274)
512.8925664

>  <Item Name> (274)
BMS 777607

>  <Catalog Number> (274)
S1561

>  <Synonyms> (274)
N/A 

>  <Target> (274)
c-Met

>  <Form> (274)
Free Base

>  <URL> (274)
http://www.selleckchem.com/products/BMS-777607.html

>  <CAS Number> (274)
1025720-94-8

$$$$
VX-809.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (275)
417

>  <Formula> (275)
C24H18F2N2O5

>  <MolWeight> (275)
452.4069264

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VX-809 (Lumacaftor)

>  <Catalog Number> (275)
S1565

>  <Synonyms> (275)
VRT 826809

>  <Target> (275)
CFTR

>  <Form> (275)
Free Base

>  <URL> (275)
http://www.selleckchem.com/products/VX-809.html

>  <CAS Number> (275)
936727-05-8

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (276)
418

>  <Formula> (276)
C13H11N3O4

>  <MolWeight> (276)
273.24414

>  <Item Name> (276)
Pomalidomide

>  <Catalog Number> (276)
S1567

>  <Synonyms> (276)
CC-4047

>  <Target> (276)
TNF-alpha, COX

>  <Form> (276)
Free Base

>  <URL> (276)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

>  <CAS Number> (276)
19171-19-8

$$$$
AVAGE (tazarotene).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (277)
420

>  <Formula> (277)
C21H21NO2S

>  <MolWeight> (277)
351.46194

>  <Item Name> (277)
Tazarotene (Avage)

>  <Catalog Number> (277)
S1569

>  <Synonyms> (277)
Tazorac, Avage, Zora

>  <Target> (277)
Retinoid Receptor

>  <Form> (277)
Free Base

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

>  <CAS Number> (277)
118292-40-3

$$$$
Fasudil HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (278)
424

>  <Formula> (278)
C14H18ClN3O2S

>  <MolWeight> (278)
327.82962

>  <Item Name> (278)
Fasudil HCl (HA-1077)

>  <Catalog Number> (278)
S1573

>  <Synonyms> (278)
AT-877 

>  <Target> (278)
ROCK

>  <Form> (278)
Hydrochloride

>  <URL> (278)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (278)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/10101813202D

 39 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (279)
425

>  <Formula> (279)
C31H37N5O3

>  <MolWeight> (279)
527.65718

>  <Item Name> (279)
BIRB 796 (Doramapimod)

>  <Catalog Number> (279)
S1574

>  <Synonyms> (279)
N/A

>  <Target> (279)
p38 MAPK

>  <Form> (279)
Free Base

>  <URL> (279)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (279)
285983-48-4

$$$$
Candesartan.cdx
csChFnd80/10101813202D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (280)
428

>  <Formula> (280)
C24H20N6O3

>  <MolWeight> (280)
440.454

>  <Item Name> (280)
Candesartan (Atacand)

>  <Catalog Number> (280)
S1578

>  <Synonyms> (280)
Atacand, Blopress, Amias, Ratacand

>  <Target> (280)
RAAS

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/Candesartan(Atacand).html

>  <CAS Number> (280)
139481-59-7

$$$$
Apixaban.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (281)
433

>  <Formula> (281)
C25H25N5O4

>  <MolWeight> (281)
459.4971

>  <Item Name> (281)
Apixaban

>  <Catalog Number> (281)
S1593

>  <Synonyms> (281)
N/A

>  <Target> (281)
Factor Xa 

>  <Form> (281)
Free Base

>  <URL> (281)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (281)
503612-47-3

$$$$
Semagacestat.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (282)
434

>  <Formula> (282)
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>  <MolWeight> (282)
361.43538

>  <Item Name> (282)
Semagacestat (LY450139)

>  <Catalog Number> (282)
S1594

>  <Synonyms> (282)
LY-450139, LY450139

>  <Target> (282)
Gamma-secretase

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (282)
425386-60-3

$$$$
Reserpine.cdx
csChFnd80/10101813202D

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 17  2  1  0  0  0  0
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 22 23  1  0  0  0  0
  3 24  1  1  0  0  0
  8 25  1  6  0  0  0
  9 26  1  6  0  0  0
 11 27  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
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 36 37  2  0  0  0  0
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 44 45  1  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (283)
436

>  <Formula> (283)
C33H40N2O9

>  <MolWeight> (283)
608.6787

>  <Item Name> (283)
Reserpine

>  <Catalog Number> (283)
S1601

>  <Synonyms> (283)
N/A

>  <Target> (283)
Others

>  <Form> (283)
Free Base

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

>  <CAS Number> (283)
50-55-5

$$$$
Furosemide.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 Cl  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
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    5.0240    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1413   11.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7087    9.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  2  0  0  0  0
  9 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (284)
438

>  <Formula> (284)
C12H11ClN2O5S

>  <MolWeight> (284)
330.74414

>  <Item Name> (284)
Furosemide (Lasix)

>  <Catalog Number> (284)
S1603

>  <Synonyms> (284)
Lasix, Frusemide

>  <Target> (284)
Sodium Channel

>  <Form> (284)
Free Base

>  <URL> (284)
http://www.selleckchem.com/products/Furosemide(Lasix).html

>  <CAS Number> (284)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.8404    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8404    2.7927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2652    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2652    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4404    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4735    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6817    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2610    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0875    2.5117    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    2.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  8 14  2  0  0  0  0
  1 15  1  6  0  0  0
  7 16  1  6  0  0  0
  7 17  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (285)
439

>  <Formula> (285)
C14H13N5O5S2

>  <MolWeight> (285)
395.41352

>  <Item Name> (285)
Cefdinir (Omnicef)

>  <Catalog Number> (285)
S1605

>  <Synonyms> (285)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (285)
Antifection

>  <Form> (285)
Free Base

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

>  <CAS Number> (285)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    3.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9753    3.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  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
 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
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (286)
440

>  <Formula> (286)
C22H17ClN2

>  <MolWeight> (286)
344.83678

>  <Item Name> (286)
Clotrimazole (Canesten)

>  <Catalog Number> (286)
S1606

>  <Synonyms> (286)
Lotrimin, Mycelex, Canesten

>  <Target> (286)
Antifection

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/Clotrimazole(Canesten).html

>  <CAS Number> (286)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/10101813202D

 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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    0.0000    1.8326    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
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 26 21  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (287)
441

>  <Formula> (287)
C22H25N5O2

>  <MolWeight> (287)
391.4662

>  <Item Name> (287)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (287)
S1607

>  <Synonyms> (287)
MK-462, Maxalt

>  <Target> (287)
NULL

>  <Form> (287)
Benzoate

>  <URL> (287)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (287)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/10101813202D

 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
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  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> (288)
442

>  <Formula> (288)
C9H13BrN2O2

>  <MolWeight> (288)
261.11572

>  <Item Name> (288)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (288)
S1608

>  <Synonyms> (288)
N/A

>  <Target> (288)
AChR

>  <Form> (288)
Bromide

>  <URL> (288)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (288)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/10101813202D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.8326    3.5495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.7869    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (289)
443

>  <Formula> (289)
C4H6N2S

>  <MolWeight> (289)
114.16884

>  <Item Name> (289)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (289)
S1609

>  <Synonyms> (289)
Basolan, Metazolo, Thiamazole

>  <Target> (289)
Others

>  <Form> (289)
Free Base

>  <URL> (289)
http://www.selleckchem.com/products/Methimazole(Tapazole).html

>  <CAS Number> (289)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  0  0  0  0
  9 17  1  0  0  0  0
  8 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (290)
444

>  <Formula> (290)
C16H16ClN3O3S

>  <MolWeight> (290)
365.83454

>  <Item Name> (290)
Metolazone (Zaroxolyn)

>  <Catalog Number> (290)
S1610

>  <Synonyms> (290)
Mykrox, Zaroxolyn, Diulo

>  <Target> (290)
Others

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/Metolazone(Zaroxolyn).html

>  <CAS Number> (290)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/10101813202D

 34 38  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8059    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1582    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5096    5.3547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8610    5.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6203    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  1  1  0  0  0
 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 23 24  1  0  0  0  0
 19 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 19  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
  9 33  1  1  0  0  0
 11 34  1  6  0  0  0
M  END
>  <Mol_ID> (291)
445

>  <Formula> (291)
C29H35NO2

>  <MolWeight> (291)
429.5937

>  <Item Name> (291)
Mifepristone (Mifeprex)

>  <Catalog Number> (291)
S2606

>  <Synonyms> (291)
RU-486, Mifegyne 

>  <Target> (291)
Estrogen/progestogen Receptor

>  <Form> (291)
Free Base

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

>  <CAS Number> (291)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/10101813202D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.5495    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0908    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6033    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (292)
446

>  <Formula> (292)
C8H5F3N2OS

>  <MolWeight> (292)
234.1983096

>  <Item Name> (292)
Riluzole (Rilutek)

>  <Catalog Number> (292)
S1614

>  <Synonyms> (292)
PK-26124, RP-54274, Rilutek

>  <Target> (292)
Sodium Channel

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (292)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/10101813202D

 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
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    2.3014    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1251    0.0000 F   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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  7  8  1  0  0  0  0
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 10  5  1  0  0  0  0
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 20 15  1  0  0  0  0
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 25 21  2  0  0  0  0
 22 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (293)
447

>  <Formula> (293)
C23H27FN4O2

>  <MolWeight> (293)
410.4844832

>  <Item Name> (293)
Risperidone (Risperdal)

>  <Catalog Number> (293)
S1615

>  <Synonyms> (293)
R 64 766, Risperdal

>  <Target> (293)
5-HT Receptor

>  <Form> (293)
Free Base

>  <URL> (293)
http://www.selleckchem.com/products/Risperidone(Risperdal).html

>  <CAS Number> (293)
106266-06-2

$$$$
Artemether.cdx
csChFnd80/10101813202D

 24 27  0  0  0  0  0  0  0  0999 V2000
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 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
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 15  3  1  0  0  0  0
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 22 23  1  0  0  0  0
  1 24  1  6  0  0  0
M  END
>  <Mol_ID> (294)
448

>  <Formula> (294)
C16H26O5

>  <MolWeight> (294)
298.37464

>  <Item Name> (294)
Artemether

>  <Catalog Number> (294)
S2264

>  <Synonyms> (294)
SM-224, CGP 56696

>  <Target> (294)
Antifection

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (294)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2496    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5496    3.1224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1496    3.1224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3423    3.1182    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
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (295)
449

>  <Formula> (295)
C11H12N4O3S

>  <MolWeight> (295)
280.30298

>  <Item Name> (295)
Sulfameter (Bayrena)

>  <Catalog Number> (295)
S1618

>  <Synonyms> (295)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (295)
DHFR

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/Sulfameter(Bayrena).html

>  <CAS Number> (295)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/10101813202D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  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
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (296)
450

>  <Formula> (296)
C13H20N2O

>  <MolWeight> (296)
220.3107

>  <Item Name> (296)
Prilocaine

>  <Catalog Number> (296)
S1619

>  <Synonyms> (296)
N/A

>  <Target> (296)
Sodium Channel

>  <Form> (296)
Free Base

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

>  <CAS Number> (296)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    1.4125    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
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 14 21  2  0  0  0  0
 10 22  1  6  0  0  0
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 12 24  1  1  0  0  0
 17 25  1  1  0  0  0
 17 26  1  6  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (297)
451

>  <Formula> (297)
C21H26O5

>  <MolWeight> (297)
358.42814

>  <Item Name> (297)
Prednisone (Adasone)

>  <Catalog Number> (297)
S1622

>  <Synonyms> (297)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (297)
Glucocorticoid Receptor

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/Prednisone.html

>  <CAS Number> (297)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/10101813202D

 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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  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (298)
452

>  <Formula> (298)
C5H9NO3S

>  <MolWeight> (298)
163.19486

>  <Item Name> (298)
Acetylcysteine

>  <Catalog Number> (298)
S1623

>  <Synonyms> (298)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (298)
AChR

>  <Form> (298)
Free Base

>  <URL> (298)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (298)
616-91-1

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/10101813202D

 18 13  0  0  0  0  0  0  0  0999 V2000
    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6729    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   26.2775    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (299)
453

>  <Formula> (299)
C4H19NNaO10P2

>  <MolWeight> (299)
326.131652

>  <Item Name> (299)
Alendronate sodium trihydrate

>  <Catalog Number> (299)
S1624

>  <Synonyms> (299)
N/A

>  <Target> (299)
Others

>  <Form> (299)
Sodium Salt

>  <URL> (299)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (299)
121268-17-5

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 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
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 17 24  1  6  0  0  0
 24 25  3  0  0  0  0
M  END
>  <Mol_ID> (300)
454

>  <Formula> (300)
C20H24O2

>  <MolWeight> (300)
296.40336

>  <Item Name> (300)
Ethinyl Estradiol

>  <Catalog Number> (300)
S1625

>  <Synonyms> (300)
Ethynylestradiol

>  <Target> (300)
Estrogen/progestogen Receptor

>  <Form> (300)
Free Base

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

>  <CAS Number> (300)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/10101813202D

 18 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0976    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (301)
455

>  <Formula> (301)
C14H13NaO3

>  <MolWeight> (301)
252.24099

>  <Item Name> (301)
Naproxen Sodium

>  <Catalog Number> (301)
S1626

>  <Synonyms> (301)
Anaprox, Naprelan 

>  <Target> (301)
COX

>  <Form> (301)
Sodium Salt

>  <URL> (301)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (301)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2040    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4693    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7693    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3999    4.1899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    5.7555    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  5 11  1  0  0  0  0
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 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (302)
456

>  <Formula> (302)
C12H9N3O5S

>  <MolWeight> (302)
307.28196

>  <Item Name> (302)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (302)
S1627

>  <Synonyms> (302)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (302)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/10101813202D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.6451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    7.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 16 26  1  6  0  0  0
 17 28  1  6  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 23 31  1  0  0  0  0
 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (303)
457

>  <Formula> (303)
C24H31FO6

>  <MolWeight> (303)
434.4977432

>  <Item Name> (303)
Triamcinolone Acetonide

>  <Catalog Number> (303)
S1628

>  <Synonyms> (303)
Azmacort

>  <Target> (303)
Glucocorticoid Receptor

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (303)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/10101813202D

 35 35  0  0  0  0  0  0  0  0999 V2000
    7.0267    6.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    5.3121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4316    5.3121    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4316    6.7170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    7.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4216    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0368    4.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    3.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7739    4.6845    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1362    6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4885    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8508    7.7514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2031    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5655    9.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9178    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   11.1807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6324   11.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948   12.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3471   13.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7094   14.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4785    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1061    3.0669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4015    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583    3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4483    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8006    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  1  5  2  0  0  0  0
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  2  7  1  6  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
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (304)
458

>  <Formula> (304)
C29H53NO5

>  <MolWeight> (304)
495.73482

>  <Item Name> (304)
Orlistat (Alli, Xenical)

>  <Catalog Number> (304)
S1629

>  <Synonyms> (304)
Tetrahydrolipstatin

>  <Target> (304)
Lipase

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (304)
96829-58-2

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834    3.2220    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  5 10  2  0  0  0  0
M  END
>  <Mol_ID> (305)
460

>  <Formula> (305)
C5H4N4NaO+

>  <MolWeight> (305)
159.10123

>  <Item Name> (305)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (305)
S1631

>  <Synonyms> (305)
 Lopurin, Zyloprim, Aloprim

>  <Target> (305)
Others

>  <Form> (305)
Sodium Salt

>  <URL> (305)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (305)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/10101813202D

 41 45  0  0  0  0  0  0  0  0999 V2000
    9.3726    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3726    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1601    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5270    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7395    3.8571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3230    3.8571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    1.7643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    3.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1352    4.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4998    5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4366    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8060    4.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2386    5.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3019    6.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9325    6.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9989    7.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300    8.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6033    6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5368    5.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0344    7.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3991    7.6982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.7514    8.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6991    8.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0991    6.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7413    7.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0936    7.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4560    8.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4660    9.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1137    9.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1272   10.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 33  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
>  <Mol_ID> (306)
461

>  <Formula> (306)
C31H33N3O6S

>  <MolWeight> (306)
575.67522

>  <Item Name> (306)
Zafirlukast (Accolate)

>  <Catalog Number> (306)
S1633

>  <Synonyms> (306)
Accolate, Accoleit, Vanticon

>  <Target> (306)
LTR

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (306)
107753-78-6

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/10101813202D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.7353    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0353    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    4.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    5.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    5.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1948    0.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    3.2831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    3.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    4.5576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    4.2659    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8629    4.2659    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8629    5.6659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    3.8333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0172    4.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.0986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4763    6.6524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    5.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2297    4.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6255    7.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6446    2.8880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    8.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    7.7155    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.1396    7.6708    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.1784    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 14  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 16  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 26  1  1  0  0  0
 17 27  1  1  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (307)
462

>  <Formula> (307)
C19H20N3NaO6S

>  <MolWeight> (307)
441.43337

>  <Item Name> (307)
Oxacillin sodium monohydrate

>  <Catalog Number> (307)
S2563

>  <Synonyms> (307)
N/A

>  <Target> (307)
Antifection

>  <Form> (307)
Sodium Salt & hydrate

>  <URL> (307)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (307)
7240-38-2

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/10101813202D

 15 15  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (308)
464

>  <Formula> (308)
C13H18O2

>  <MolWeight> (308)
206.28082

>  <Item Name> (308)
Ibuprofen (Advil)

>  <Catalog Number> (308)
S1638

>  <Synonyms> (308)
Brufen, Nurofen, Motrin 

>  <Target> (308)
COX

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (308)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5049    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9000    2.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5976    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (309)
465

>  <Formula> (309)
C12H15N3O2S

>  <MolWeight> (309)
265.3314

>  <Item Name> (309)
Albendazole (Albenza)

>  <Catalog Number> (309)
S1640

>  <Synonyms> (309)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (309)
Microtubule Associated

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (309)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    2.4207    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (310)
466

>  <Formula> (310)
C7H6ClN3O4S2

>  <MolWeight> (310)
295.72324

>  <Item Name> (310)
Chlorothiazide

>  <Catalog Number> (310)
S1641

>  <Synonyms> (310)
Diuril, Chlotride

>  <Target> (310)
Others

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (310)
58-94-6

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/10101813202D

 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
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    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3682    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (311)
467

>  <Formula> (311)
C10H13NO4

>  <MolWeight> (311)
211.21452

>  <Item Name> (311)
Methyldopa (Aldomet)

>  <Catalog Number> (311)
S1642

>  <Synonyms> (311)
Aldoril 

>  <Target> (311)
Others

>  <Form> (311)
Free Base

>  <URL> (311)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (311)
555-30-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/10101813202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (312)
468

>  <Formula> (312)
C24H40O4

>  <MolWeight> (312)
392.572

>  <Item Name> (312)
Ursodiol (Actigal Urso)

>  <Catalog Number> (312)
S1643

>  <Synonyms> (312)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (312)
Others

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (312)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3950    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1616    1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7018    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (313)
469

>  <Formula> (313)
C6H6N4O4

>  <MolWeight> (313)
198.13624

>  <Item Name> (313)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (313)
S1644

>  <Synonyms> (313)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (313)
Antifection

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (313)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (314)
470

>  <Formula> (314)
C16H14O3

>  <MolWeight> (314)
254.28056

>  <Item Name> (314)
Ketoprofen (Actron)

>  <Catalog Number> (314)
S1645

>  <Synonyms> (314)
Orudis, Oruvail 

>  <Target> (314)
COX

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (314)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
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    1.1287    3.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7608    0.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4463    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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58-61-7

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63968-64-9

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STAT

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88495-63-0

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csChFnd80/10101813202D

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$$$$
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    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> (320)
476

>  <Formula> (320)
C16H21N3O2

>  <MolWeight> (320)
287.35684

>  <Item Name> (320)
Zolmitriptan (Zomig)

>  <Catalog Number> (320)
S1649

>  <Synonyms> (320)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (320)
5-HT Receptor

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (320)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.3376    4.3937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.0314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    5.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7234    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.3180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9015    1.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2996    1.0842    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6619    2.4365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4878    3.1990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9644    2.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0486    2.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 10  5  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (321)
477

>  <Formula> (321)
C10H14N2O5

>  <MolWeight> (321)
242.22856

>  <Item Name> (321)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (321)
S1651

>  <Synonyms> (321)
N/A

>  <Target> (321)
Reverse Transcriptase

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (321)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/10101813202D

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
M  END
>  <Mol_ID> (322)
478

>  <Formula> (322)
C13H12O2

>  <MolWeight> (322)
200.23318

>  <Item Name> (322)
Monobenzone (Benoquin)

>  <Catalog Number> (322)
S1652

>  <Synonyms> (322)
Benoquin

>  <Target> (322)
Tyrosinase

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (322)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    4.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (323)
479

>  <Formula> (323)
C20H28O2

>  <MolWeight> (323)
300.43512

>  <Item Name> (323)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (323)
S1653

>  <Synonyms> (323)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (323)
Retinoid Receptor

>  <Form> (323)
Free Base

>  <URL> (323)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (323)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.5403    4.4353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    3.0353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    2.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6947    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8718    4.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    5.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    1.2758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3029    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    3.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7874    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1825    2.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8801    1.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  6  1  0  0  0  0
  7 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  7  1  0  0  0  0
  3 18  2  0  0  0  0
  5 19  2  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (324)
480

>  <Formula> (324)
C19H20N2O2

>  <MolWeight> (324)
308.3743

>  <Item Name> (324)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (324)
S1654

>  <Synonyms> (324)
Bute, Butazolidin, Butatron 

>  <Target> (324)
COX

>  <Form> (324)
Free Base

>  <URL> (324)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (324)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1049    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4837    1.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2951    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 11  1  0  0  0  0
  8 15  1  1  0  0  0
 11 10  1  6  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 14 24  1  1  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (325)
481

>  <Formula> (325)
C24H21F2NO3

>  <MolWeight> (325)
409.4252464

>  <Item Name> (325)
Ezetimibe (Zetia)

>  <Catalog Number> (325)
S1655

>  <Synonyms> (325)
Zetia, Ezetrol

>  <Target> (325)
Others

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (325)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6527    2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3426    3.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (326)
482

>  <Formula> (326)
C19H27N3O5S2

>  <MolWeight> (326)
441.56478

>  <Item Name> (326)
Dofetilide (Tikosyn)

>  <Catalog Number> (326)
S1658

>  <Synonyms> (326)
Tikosyn, UK68798

>  <Target> (326)
Potassium Channel

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (326)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.5563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    6.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    7.8215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 22 27  2  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (327)
483

>  <Formula> (327)
C19H21N3O5

>  <MolWeight> (327)
371.38714

>  <Item Name> (327)
Isradipine (Dynacirc)

>  <Catalog Number> (327)
S1662

>  <Synonyms> (327)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (327)
Calcium Channel

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (327)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/10101813202D

 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
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    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.5000    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> (328)
484

>  <Formula> (328)
C18H22O2

>  <MolWeight> (328)
270.36608

>  <Item Name> (328)
Estrone

>  <Catalog Number> (328)
S1665

>  <Synonyms> (328)
Oestrone

>  <Target> (328)
Estrogen/progestogen Receptor

>  <Form> (328)
Free Base

>  <URL> (328)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (328)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (329)
485

>  <Formula> (329)
C4H4FN3O

>  <MolWeight> (329)
129.0924632

>  <Item Name> (329)
Flucytosine (Ancobon)

>  <Catalog Number> (329)
S1666

>  <Synonyms> (329)
5-fluorocytosine, Ancotil

>  <Target> (329)
Antifection

>  <Form> (329)
Free Base

>  <URL> (329)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (329)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    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
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    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (330)
486

>  <Formula> (330)
C24H31ClO7

>  <MolWeight> (330)
466.95174

>  <Item Name> (330)
Loteprednol etabonate

>  <Catalog Number> (330)
S1669

>  <Synonyms> (330)
Alrex, Lotemax

>  <Target> (330)
Glucocorticoid Receptor

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (330)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/10101813202D

  9  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (331)
487

>  <Formula> (331)
C6H13NO2

>  <MolWeight> (331)
131.17292

>  <Item Name> (331)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (331)
S1671

>  <Synonyms> (331)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (331)
Others

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (331)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (332)
488

>  <Formula> (332)
C21H32O2

>  <MolWeight> (332)
316.47758

>  <Item Name> (332)
Pregnenolone

>  <Catalog Number> (332)
S1914

>  <Synonyms> (332)
N/A

>  <Target> (332)
Estrogen/progestogen Receptor

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (332)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.7540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3829    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    7.3257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    9.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    7.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    9.1559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    8.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    6.8937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    9.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   10.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    5.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    0.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    2.4322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    1.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0102    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    1.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805   -0.0971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427   -0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6427    2.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210    3.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2210   -1.7623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 16  1  0  0  0  0
 10 17  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 28  2  0  0  0  0
 20 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (333)
489

>  <Formula> (333)
C16H24N10O4

>  <MolWeight> (333)
420.42636

>  <Item Name> (333)
Aminophylline (Truphylline)

>  <Catalog Number> (333)
S1673

>  <Synonyms> (333)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (333)
PDE

>  <Form> (333)
Ethylenediamine

>  <URL> (333)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (333)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    3.6289    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207    1.6775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.9875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6784    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3115    3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.9875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0991    5.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  1  1  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (334)
490

>  <Formula> (334)
C21H36ClNO

>  <MolWeight> (334)
353.96964

>  <Item Name> (334)
Amorolfine Hydrochloride

>  <Catalog Number> (334)
S1676

>  <Synonyms> (334)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (334)
Antifection

>  <Form> (334)
Hydrochloride

>  <URL> (334)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (334)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    3.5049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2873    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 10 18  1  1  0  0  0
 11 19  1  1  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (335)
491

>  <Formula> (335)
C11H12Cl2N2O5

>  <MolWeight> (335)
323.12938

>  <Item Name> (335)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (335)
S1677

>  <Synonyms> (335)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (335)
Antifection

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (335)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/10101813202D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
>  <Mol_ID> (336)
492

>  <Formula> (336)
C10H20N2S4

>  <MolWeight> (336)
296.5392

>  <Item Name> (336)
Disulfiram (Antabuse)

>  <Catalog Number> (336)
S1680

>  <Synonyms> (336)
Antabuse, Antabus

>  <Target> (336)
Dehydrogenase

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (336)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (337)
493

>  <Formula> (337)
C7H7NO3

>  <MolWeight> (337)
153.13538

>  <Item Name> (337)
Mesalamine (Lialda)

>  <Catalog Number> (337)
S1681

>  <Synonyms> (337)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (337)
I¦ÊB/IKK

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (337)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    5.0421    9.6192    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3523    5.0254    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0495    4.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    5.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    6.3381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3523    7.7893    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.2163    5.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    4.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792    8.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    8.5507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8396   10.1561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9703    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    2.0951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8116    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6076    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
>  <Mol_ID> (338)
494

>  <Formula> (338)
C20H30BrNO3

>  <MolWeight> (338)
412.3611

>  <Item Name> (338)
Ipratropium bromide

>  <Catalog Number> (338)
S1683

>  <Synonyms> (338)
Atrovent, Apovent, Aerovent

>  <Target> (338)
AChR

>  <Form> (338)
Bromide

>  <URL> (338)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (338)
22254-24-6

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9394    5.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9259    6.2480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  2  0  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 17 26  1  6  0  0  0
 17 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
M  END
>  <Mol_ID> (339)
496

>  <Formula> (339)
C22H28O5

>  <MolWeight> (339)
372.45472

>  <Item Name> (339)
Betapar (Meprednisone)

>  <Catalog Number> (339)
S1689

>  <Synonyms> (339)
Betanisona

>  <Target> (339)
Glucocorticoid Receptor

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (339)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/10101813202D

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5771    6.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    5.3326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6043    6.3226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9942    7.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 16 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 10 33  1  6  0  0  0
 11 34  1  6  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (340)
497

>  <Formula> (340)
C27H37FO6

>  <MolWeight> (340)
476.5774832

>  <Item Name> (340)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (340)
S1690

>  <Synonyms> (340)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (340)
Glucocorticoid Receptor

>  <Form> (340)
Free Base

>  <URL> (340)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (340)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/10101813202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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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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 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (341)
498

>  <Formula> (341)
C19H24N2O2

>  <MolWeight> (341)
312.40606

>  <Item Name> (341)
Praziquantel (Biltricide)

>  <Catalog Number> (341)
S1691

>  <Synonyms> (341)
Droncit

>  <Target> (341)
Antifection

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (341)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (342)
499

>  <Formula> (342)
C6H14O6S2

>  <MolWeight> (342)
246.30176

>  <Item Name> (342)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (342)
S1692

>  <Synonyms> (342)
Myleran, Busulfex

>  <Target> (342)
NULL

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (342)
55-98-1

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    1.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    3.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7287    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  2  0  0  0  0
  2 18  1  0  0  0  0
M  END
>  <Mol_ID> (343)
501

>  <Formula> (343)
C15H12N2O

>  <MolWeight> (343)
236.26858

>  <Item Name> (343)
Carbamazepine (Carbatrol)

>  <Catalog Number> (343)
S1693

>  <Synonyms> (343)
Equetro, Tegretol, Biston 

>  <Target> (343)
Autophagy,Sodium Channel

>  <Form> (343)
Free Base

>  <URL> (343)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (343)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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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   10.3977    6.2495    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  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
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  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
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 14 24  1  1  0  0  0
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 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (344)
502

>  <Formula> (344)
C21H30O5

>  <MolWeight> (344)
362.4599

>  <Item Name> (344)
Hydrocortisone (Cortisol)

>  <Catalog Number> (344)
S1696

>  <Synonyms> (344)
Cortisol

>  <Target> (344)
Glucocorticoid Receptor

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (344)
50-23-7

$$$$
DEMADEX (torsemide).cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2494    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6205    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6247    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3411    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7411    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 20 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  2  0  0  0  0
M  END
>  <Mol_ID> (345)
503

>  <Formula> (345)
C16H20N4O3S

>  <MolWeight> (345)
348.42

>  <Item Name> (345)
Torsemide (Demadex)

>  <Catalog Number> (345)
S1698

>  <Synonyms> (345)
Demadex

>  <Target> (345)
Others

>  <Form> (345)
Free Base

>  <URL> (345)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (345)
56211-40-6

$$$$
DESOWEN (desonide).cdx
csChFnd80/10101813202D

 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
    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
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    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
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (346)
504

>  <Formula> (346)
C24H32O6

>  <MolWeight> (346)
416.50728

>  <Item Name> (346)
Desonide

>  <Catalog Number> (346)
S1701

>  <Synonyms> (346)
Locapred, Topifug, Tridesilon

>  <Target> (346)
Glucocorticoid Receptor

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (346)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/10101813202D

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4032    4.1388    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4032    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7347    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576    3.4388    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7347    4.5714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2745    4.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071    4.1388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7756    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4846    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1475    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744    2.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  2  0  0  0  0
  4  8  1  1  0  0  0
M  END
>  <Mol_ID> (347)
505

>  <Formula> (347)
C10H12N4O3

>  <MolWeight> (347)
236.22728

>  <Item Name> (347)
Didanosine (Videx)

>  <Catalog Number> (347)
S1702

>  <Synonyms> (347)
Videx EC 

>  <Target> (347)
NULL

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (347)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10101813202D

 21 18  0  0  0  0  0  0  0  0999 V2000
    2.7976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   14.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   15.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   13.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024   16.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   13.2726    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5107    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.8951   15.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6663   14.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   13.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5688   15.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   15.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4639   16.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7639   13.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4615   11.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (348)
506

>  <Formula> (348)
C16H31NaO4

>  <MolWeight> (348)
310.40471

>  <Item Name> (348)
Divalproex sodium

>  <Catalog Number> (348)
S1703

>  <Synonyms> (348)
Depakote, Epival

>  <Target> (348)
HDAC

>  <Form> (348)
Sodium Salt

>  <URL> (348)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (348)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3853    6.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0727    6.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  5 21  1  1  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (349)
507

>  <Formula> (349)
C21H30O2

>  <MolWeight> (349)
314.4617

>  <Item Name> (349)
Progesterone (Prometrium)

>  <Catalog Number> (349)
S1705

>  <Synonyms> (349)
Prometrium, Agolutin, Corlutin

>  <Target> (349)
Estrogen/progestogen Receptor

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (349)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/10101813202D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    4.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  5  1  6  0  0  0
 11 14  1  6  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (350)
508

>  <Formula> (350)
C8H11N3O3S

>  <MolWeight> (350)
229.25624

>  <Item Name> (350)
Lamivudine (Epivir)

>  <Catalog Number> (350)
S1706

>  <Synonyms> (350)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (350)
Reverse Transcriptase

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (350)
134678-17-4

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/10101813202D

 32 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6019    3.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0253    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4345    7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    8.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1693    7.3568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3019    9.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9704    2.9803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
 12 20  1  1  0  0  0
 14 21  1  6  0  0  0
 10 21  1  6  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 17 29  1  1  0  0  0
 28 30  2  0  0  0  0
  9 31  1  1  0  0  0
 11 32  1  6  0  0  0
M  END
>  <Mol_ID> (351)
509

>  <Formula> (351)
C24H30O6

>  <MolWeight> (351)
414.4914

>  <Item Name> (351)
Eplerenone

>  <Catalog Number> (351)
S1707

>  <Synonyms> (351)
Inspra

>  <Target> (351)
Glucocorticoid Receptor

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

>  <CAS Number> (351)
107724-20-9

$$$$
estradiol.cdx
csChFnd80/10101813202D

 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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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (352)
511

>  <Formula> (352)
C18H24O2

>  <MolWeight> (352)
272.38196

>  <Item Name> (352)
Estradiol

>  <Catalog Number> (352)
S1709

>  <Synonyms> (352)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (352)
Estrogen/progestogen Receptor

>  <Form> (352)
Free Base

>  <URL> (352)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (352)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165    2.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1786    2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6769    4.1863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    8.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    8.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813   10.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5260    3.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3950    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2409    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2308    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8685    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5162    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551    4.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
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 26 15  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (353)
512

>  <Formula> (353)
C21H15N3O4

>  <MolWeight> (353)
373.3615

>  <Item Name> (353)
Deferasirox (Exjade)

>  <Catalog Number> (353)
S1712

>  <Synonyms> (353)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (353)
P450 (e.g. CYP17)

>  <Form> (353)
Free Base

>  <URL> (353)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (353)
201530-41-8

$$$$
FELDENE (piroxicam).cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6869    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5620    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9620    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
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 12 22  2  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (354)
514

>  <Formula> (354)
C15H13N3O4S

>  <MolWeight> (354)
331.34642

>  <Item Name> (354)
Piroxicam (Feldene)

>  <Catalog Number> (354)
S1713

>  <Synonyms> (354)
Roxam

>  <Target> (354)
COX 

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (354)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9320    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5651    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 11  1  0  0  0  0
  9 17  2  0  0  0  0
  7 18  2  0  0  0  0
  7 19  2  0  0  0  0
  4 20  1  0  0  0  0
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 21 22  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 24  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (355)
515

>  <Formula> (355)
C21H27N5O4S

>  <MolWeight> (355)
445.53518

>  <Item Name> (355)
Glipizide (Glucotrol)

>  <Catalog Number> (355)
S1715

>  <Synonyms> (355)
Glucotrol XL 

>  <Target> (355)
Others

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (355)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/10101813202D

 33 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (356)
516

>  <Formula> (356)
C23H28ClN3O5S

>  <MolWeight> (356)
494.00352

>  <Item Name> (356)
Glyburide (Glibenclamide)

>  <Catalog Number> (356)
S1716

>  <Synonyms> (356)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (356)
Potassium Channel

>  <Form> (356)
Free Base

>  <URL> (356)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (356)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (357)
517

>  <Formula> (357)
C20H32N5O8P

>  <MolWeight> (357)
501.470541

>  <Item Name> (357)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (357)
S1718

>  <Synonyms> (357)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (357)
Reverse Transcriptase

>  <Form> (357)
Free Base

>  <URL> (357)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (357)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/10101813202D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (358)
518

>  <Formula> (358)
C9H13N3O3

>  <MolWeight> (358)
211.21782

>  <Item Name> (358)
Zalcitabine

>  <Catalog Number> (358)
S1719

>  <Synonyms> (358)
Hivid, Dideoxycytidine 

>  <Target> (358)
Reverse Transcriptase

>  <Form> (358)
Free Base

>  <URL> (358)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (358)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (359)
519

>  <Formula> (359)
C9H7N7O2S

>  <MolWeight> (359)
277.26258

>  <Item Name> (359)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (359)
S1721

>  <Synonyms> (359)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (359)
Rho

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (359)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (360)
520

>  <Formula> (360)
C19H16ClNO4

>  <MolWeight> (360)
357.78764

>  <Item Name> (360)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (360)
S1723

>  <Synonyms> (360)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (360)
COX

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (360)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
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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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    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    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
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    6.0580    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4263    6.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
 17 25  1  6  0  0  0
 25 26  3  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (361)
522

>  <Formula> (361)
C21H28O2

>  <MolWeight> (361)
312.44582

>  <Item Name> (361)
Levonorgestrel (Levonelle)

>  <Catalog Number> (361)
S1727

>  <Synonyms> (361)
Levonelle, D-Norgestrel, Levonova

>  <Target> (361)
Estrogen/progestogen Receptor

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (361)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/10101813202D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1979    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (362)
523

>  <Formula> (362)
C15H22O3

>  <MolWeight> (362)
250.33338

>  <Item Name> (362)
Gemfibrozil (Lopid)

>  <Catalog Number> (362)
S1729

>  <Synonyms> (362)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (362)
PPAR

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (362)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6425    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6425    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    5.1210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2756    2.3259    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9756    1.1134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (363)
524

>  <Formula> (363)
C16H16ClN3O3S

>  <MolWeight> (363)
365.83454

>  <Item Name> (363)
Indapamide (Lozol)

>  <Catalog Number> (363)
S1730

>  <Synonyms> (363)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (363)
Others

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (363)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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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
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 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
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 17 23  1  1  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> (364)
525

>  <Formula> (364)
C22H30O5

>  <MolWeight> (364)
374.4706

>  <Item Name> (364)
Methylprednisolone

>  <Catalog Number> (364)
S1733

>  <Synonyms> (364)
Medrol, Solu-Medrol, Medrone

>  <Target> (364)
Glucocorticoid Receptor

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (364)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2279    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6528    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6032    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3875    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    3.4406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (365)
526

>  <Formula> (365)
C14H13N3O4S2

>  <MolWeight> (365)
351.40072

>  <Item Name> (365)
Meloxicam (Mobic)

>  <Catalog Number> (365)
S1734

>  <Synonyms> (365)
Metacam, Parocin 

>  <Target> (365)
COX

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (365)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/10101813202D

  8  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (366)
527

>  <Formula> (366)
C2H5NaO3S2

>  <MolWeight> (366)
164.17907

>  <Item Name> (366)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (366)
S1735

>  <Synonyms> (366)
Uromitexan, Mesnex

>  <Target> (366)
Others

>  <Form> (366)
Sodium Salt

>  <URL> (366)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (366)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    7.0122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (367)
528

>  <Formula> (367)
C11H15NO5

>  <MolWeight> (367)
241.2405

>  <Item Name> (367)
Methocarbamol (Robaxin)

>  <Catalog Number> (367)
S1736

>  <Synonyms> (367)
Robaxin

>  <Target> (367)
Carbonic Anhydrase

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (367)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/10101813202D

 39 44  0  0  0  0  0  0  0  0999 V2000
    2.4165   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   10.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   11.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   12.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    3.3025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1995    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5975    1.8769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0993    3.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    4.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4063    3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    5.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    5.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2303    5.4478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9435    1.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0655    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    7.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0029    7.9630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    9.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012    9.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7656    8.3174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6650   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1633   11.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7805   11.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2460    7.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 29  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
 30 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
>  <Mol_ID> (368)
529

>  <Formula> (368)
C33H30N4O2

>  <MolWeight> (368)
514.6169

>  <Item Name> (368)
Telmisartan (Micardis)

>  <Catalog Number> (368)
S1738

>  <Synonyms> (368)
Targit

>  <Target> (368)
RAAS

>  <Form> (368)
Free Base

>  <URL> (368)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (368)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/10101813202D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.7000    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2388    4.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9599    4.2876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5450    4.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776    5.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0409    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    6.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  6  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <Mol_ID> (369)
530

>  <Formula> (369)
C10H7N3S

>  <MolWeight> (369)
201.24768

>  <Item Name> (369)
Thiabendazole

>  <Catalog Number> (369)
S1739

>  <Synonyms> (369)
Mintezol, Equizole

>  <Target> (369)
P450 (e.g. CYP17)

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (369)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2578    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (370)
531

>  <Formula> (370)
C10H14O4

>  <MolWeight> (370)
198.21576

>  <Item Name> (370)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (370)
S1740

>  <Synonyms> (370)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (370)
Others

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (370)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/10101813202D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 12  4  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (371)
532

>  <Formula> (371)
C15H14N4O

>  <MolWeight> (371)
266.29786

>  <Item Name> (371)
Nevirapine (Viramune)

>  <Catalog Number> (371)
S1742

>  <Synonyms> (371)
Viramune, BI-RG 587

>  <Target> (371)
Reverse Transcriptase

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (371)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
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 12  7  1  0  0  0  0
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  5 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 18  1  0  0  0  0
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  2 25  1  0  0  0  0
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 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (372)
533

>  <Formula> (372)
C21H26N2O7

>  <MolWeight> (372)
418.44034

>  <Item Name> (372)
Nimodipine (Nimotop)

>  <Catalog Number> (372)
S1747

>  <Synonyms> (372)
Nimotop

>  <Target> (372)
Autophagy,Calcium Channel

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (372)
66085-59-4

$$$$
Pitavastatin calcium.cdx
csChFnd80/10101813202D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (373)
535

>  <Formula> (373)
C50H46CaF2N2O8

>  <MolWeight> (373)
880.9836464

>  <Item Name> (373)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (373)
S1759

>  <Synonyms> (373)
Livalo

>  <Target> (373)
HMG-CoA Reductase

>  <Form> (373)
Calcium salt

>  <URL> (373)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (373)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  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> (374)
536

>  <Formula> (374)
C5H5N3O

>  <MolWeight> (374)
123.1127

>  <Item Name> (374)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (374)
S1762

>  <Synonyms> (374)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (374)
Antifection

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (374)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/10101813202D

 62 67  0  0  0  0  0  0  0  0999 V2000
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 50 44  1  0  0  0  0
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M  END
>  <Mol_ID> (375)
537

>  <Formula> (375)
C46H54N6O8S2

>  <MolWeight> (375)
883.08636

>  <Item Name> (375)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (375)
S1763

>  <Synonyms> (375)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (375)
Dopamine Receptor

>  <Form> (375)
Fumarate

>  <URL> (375)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (375)
111974-72-2

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/10101813202D

 42 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (376)
539

>  <Formula> (376)
C25H28N6O7S3

>  <MolWeight> (376)
620.72082

>  <Item Name> (376)
Cefditoren pivoxil

>  <Catalog Number> (376)
S1768

>  <Synonyms> (376)
Spectracef , Meiact

>  <Target> (376)
5-alpha Reductase 

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (376)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
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 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (377)
540

>  <Formula> (377)
C10H10N4O2S

>  <MolWeight> (377)
250.277

>  <Item Name> (377)
Sulfadiazine

>  <Catalog Number> (377)
S1770

>  <Synonyms> (377)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (377)
Antifection

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (377)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/10101813202D

 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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    1.2124    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    5.5903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (378)
541

>  <Formula> (378)
C18H18ClNS

>  <MolWeight> (378)
315.86022

>  <Item Name> (378)
Chlorprothixene

>  <Catalog Number> (378)
S1771

>  <Synonyms> (378)
Cloxan, Taractan, Truxal

>  <Target> (378)
Dopamine Receptor

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (378)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 35  1  6  0  0  0
M  END
>  <Mol_ID> (379)
542

>  <Formula> (379)
C22H24N2O9

>  <MolWeight> (379)
460.43396

>  <Item Name> (379)
Oxytetracycline (Terramycin)

>  <Catalog Number> (379)
S1773

>  <Synonyms> (379)
Terramycin, Liquamycin

>  <Target> (379)
NULL

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (379)
79-57-2

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10101813202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (380)
543

>  <Formula> (380)
C5H5N5S

>  <MolWeight> (380)
167.1917

>  <Item Name> (380)
Thioguanine

>  <Catalog Number> (380)
S1774

>  <Synonyms> (380)
6-Thioguanine

>  <Target> (380)
Others

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (380)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/10101813202D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.6124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  2  8  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (381)
544

>  <Formula> (381)
C6H12N3PS

>  <MolWeight> (381)
189.218341

>  <Item Name> (381)
Thiotepa (Thioplex)

>  <Catalog Number> (381)
S1775

>  <Synonyms> (381)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (381)
Others

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (381)
52-24-4

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (382)
545

>  <Formula> (382)
C8H10N2S

>  <MolWeight> (382)
166.2434

>  <Item Name> (382)
Ethionamide

>  <Catalog Number> (382)
S1777

>  <Synonyms> (382)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (382)
Antifection

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (382)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7782    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.8709    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.1758    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.2831    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2880    2.4602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    1.1287    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1207    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5533    2.4602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9006    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3282    0.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  6  1  1  0  0  0  0
  2  7  2  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 15 18  1  1  0  0  0
 16 19  1  6  0  0  0
 19 20  1  0  0  0  0
 13  3  1  6  0  0  0
M  END
>  <Mol_ID> (383)
546

>  <Formula> (383)
C10H11F3N2O5

>  <MolWeight> (383)
296.1999496

>  <Item Name> (383)
Trifluridine (Viroptic)

>  <Catalog Number> (383)
S1778

>  <Synonyms> (383)
Viroptic, Trifluorothymidine

>  <Target> (383)
NULL

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (383)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
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  2  8  1  6  0  0  0
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  8 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (384)
547

>  <Formula> (384)
C8H12N4O5

>  <MolWeight> (384)
244.20468

>  <Item Name> (384)
Azacitidine (Vidaza)

>  <Catalog Number> (384)
S1782

>  <Synonyms> (384)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (384)
DNA/RNA Synthesis

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (384)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
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  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
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 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (385)
548

>  <Formula> (385)
C10H13N5O4

>  <MolWeight> (385)
267.24132

>  <Item Name> (385)
Vidarabine (Vira-A)

>  <Catalog Number> (385)
S1784

>  <Synonyms> (385)
Vira-A

>  <Target> (385)
5-alpha Reductase 

>  <Form> (385)
Free Base

>  <URL> (385)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (385)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/10101813202D

 47 54  0  0  0  0  0  0  0  0999 V2000
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   12.1937   10.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
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 14 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  9  1  0  0  0  0
 24 25  2  0  0  0  0
  9 26  1  6  0  0  0
  7 27  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 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
 30 34  1  6  0  0  0
 28 27  1  6  0  0  0
 29 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 39  1  6  0  0  0
 37 40  1  1  0  0  0
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 47  6  1  0  0  0  0
 31 36  1  1  0  0  0
M  END
>  <Mol_ID> (386)
549

>  <Formula> (386)
C32H32O13S

>  <MolWeight> (386)
656.65368

>  <Item Name> (386)
Teniposide (Vumon)

>  <Catalog Number> (386)
S1787

>  <Synonyms> (386)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (386)
Topoisomerase

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (386)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/10101813202D

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 56 52  1  0  0  0  0
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M  END
>  <Mol_ID> (387)
550

>  <Formula> (387)
C43H51N3O11

>  <MolWeight> (387)
785.87854

>  <Item Name> (387)
Rifaximin (Xifaxan)

>  <Catalog Number> (387)
S1790

>  <Synonyms> (387)
Rifacol, Fatroximin

>  <Target> (387)
DNA/RNA Synthesis

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (387)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/10101813202D

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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  2  0  0  0  0
 27 30  1  1  0  0  0
 23 31  1  1  0  0  0
  5 32  1  1  0  0  0
M  END
>  <Mol_ID> (388)
551

>  <Formula> (388)
C25H38O5

>  <MolWeight> (388)
418.56622

>  <Item Name> (388)
Simvastatin (Zocor)

>  <Catalog Number> (388)
S1792

>  <Synonyms> (388)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (388)
HMG-CoA Reductase

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (388)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 19  1  6  0  0  0
 22 27  1  6  0  0  0
 24 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (389)
552

>  <Formula> (389)
C23H32N2O5

>  <MolWeight> (389)
416.51058

>  <Item Name> (389)
Ramipril (Altace)

>  <Catalog Number> (389)
S1793

>  <Synonyms> (389)
Tritace

>  <Target> (389)
RAAS

>  <Form> (389)
Free Base

>  <URL> (389)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (389)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5909    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (390)
553

>  <Formula> (390)
C20H21ClO4

>  <MolWeight> (390)
360.83134

>  <Item Name> (390)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (390)
S1794

>  <Synonyms> (390)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (390)
NULL

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (390)
49562-28-9

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/10101813202D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9912    2.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3893    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8910    3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    4.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3117    3.5905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5199    4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    4.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1446    2.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    1.4905    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.3570    0.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5695    2.1905    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5695    3.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    4.2905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  3  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (391)
555

>  <Formula> (391)
C13H23ClN4O3S

>  <MolWeight> (391)
350.86472

>  <Item Name> (391)
Ranitidine Hydrochloride

>  <Catalog Number> (391)
S1801

>  <Synonyms> (391)
AH19065

>  <Target> (391)
Histamine Receptor antagonist

>  <Form> (391)
Hydrochloride

>  <URL> (391)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (391)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (392)
556

>  <Formula> (392)
C6H6N2O3

>  <MolWeight> (392)
154.12344

>  <Item Name> (392)
Acipimox 

>  <Catalog Number> (392)
S1806

>  <Synonyms> (392)
K-9321, Olbemox, Olbetam

>  <Target> (392)
Others

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (392)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    2.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611    5.2023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917    4.9112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7569    1.6179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0631    2.3673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6305    3.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5640    4.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5575    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (393)
557

>  <Formula> (393)
C8H11N5O3

>  <MolWeight> (393)
225.20464

>  <Item Name> (393)
Acyclovir (Aciclovir)

>  <Catalog Number> (393)
S1807

>  <Synonyms> (393)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (393)
Antifection

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (393)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (394)
558

>  <Formula> (394)
C17H18N2O6

>  <MolWeight> (394)
346.33462

>  <Item Name> (394)
Nifedipine (Adalat)

>  <Catalog Number> (394)
S1808

>  <Synonyms> (394)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (394)
Calcium Channel

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (394)
21829-25-4

$$$$
Baricitinib.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (395)
560

>  <Formula> (395)
C16H17N7O2S

>  <MolWeight> (395)
371.41688

>  <Item Name> (395)
Baricitinib (LY3009104)

>  <Catalog Number> (395)
S2851

>  <Synonyms> (395)
INCB 28050

>  <Target> (395)
JAK

>  <Form> (395)
Free Base

>  <URL> (395)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (395)
1187594-09-7

$$$$
Deferiprone.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (396)
563

>  <Formula> (396)
C7H9NO2

>  <MolWeight> (396)
139.15186

>  <Item Name> (396)
Deferiprone

>  <Catalog Number> (396)
S4067

>  <Synonyms> (396)
N/A

>  <Target> (396)
Others

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (396)
30652-11-0

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/10101813202D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (397)
564

>  <Formula> (397)
C9H5Cl2NO

>  <MolWeight> (397)
214.0481

>  <Item Name> (397)
Chloroxine

>  <Catalog Number> (397)
S1839

>  <Synonyms> (397)
Capitrol

>  <Target> (397)
Antifection

>  <Form> (397)
Free Base

>  <URL> (397)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (397)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/10101813202D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (398)
565

>  <Formula> (398)
C9H16ClN3O2

>  <MolWeight> (398)
233.69524

>  <Item Name> (398)
Lomustine (CeeNU)

>  <Catalog Number> (398)
S1840

>  <Synonyms> (398)
CCNU 

>  <Target> (398)
DNA/RNA Synthesis

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (398)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/10101813202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (399)
566

>  <Formula> (399)
C24H40O4

>  <MolWeight> (399)
392.572

>  <Item Name> (399)
Chenodeoxycholic acid

>  <Catalog Number> (399)
S1843

>  <Synonyms> (399)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (399)
NULL

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (399)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
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    2.2200    2.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (400)
567

>  <Formula> (400)
C10H16N6S

>  <MolWeight> (400)
252.33924

>  <Item Name> (400)
Cimetidine (Tagamet)

>  <Catalog Number> (400)
S1845

>  <Synonyms> (400)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (400)
NULL

>  <Form> (400)
Free Base

>  <URL> (400)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (400)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (401)
568

>  <Formula> (401)
C25H30ClNO5

>  <MolWeight> (401)
459.9624

>  <Item Name> (401)
Clemastine Fumarate

>  <Catalog Number> (401)
S1847

>  <Synonyms> (401)
Tavist, Agasten 

>  <Target> (401)
Histamine Receptor

>  <Form> (401)
Fumarate

>  <URL> (401)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (401)
14976-57-9

$$$$
Daidzein.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
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   10.8993    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (402)
569

>  <Formula> (402)
C15H10O4

>  <MolWeight> (402)
254.2375

>  <Item Name> (402)
Daidzein

>  <Catalog Number> (402)
S1849

>  <Synonyms> (402)
N/A

>  <Target> (402)
Others

>  <Form> (402)
Free Base

>  <URL> (402)
http://www.selleckchem.com/products/Daidzein.html

>  <CAS Number> (402)
486-66-8 

$$$$
Methylthiouracil.cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (403)
572

>  <Formula> (403)
C5H6N2OS

>  <MolWeight> (403)
142.17894

>  <Item Name> (403)
Methylthiouracil

>  <Catalog Number> (403)
S3138

>  <Synonyms> (403)
N/A

>  <Target> (403)
Others

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (403)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (404)
573

>  <Formula> (404)
C6H7N3O

>  <MolWeight> (404)
137.13928

>  <Item Name> (404)
Isoniazid (Tubizid)

>  <Catalog Number> (404)
S1937

>  <Synonyms> (404)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (404)
Angiogenesis

>  <Form> (404)
Free Base

>  <URL> (404)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (404)
54-85-3

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/10101813202D

 35 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
576

>  <Formula> (405)
C24H32N2O9

>  <MolWeight> (405)
492.51888

>  <Item Name> (405)
Enalapril maleate (Vasotec)

>  <Catalog Number> (405)
S1941

>  <Synonyms> (405)
Glioten, Renitec 

>  <Target> (405)
Opioid Receptor

>  <Form> (405)
Maleate

>  <URL> (405)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (405)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/10101813202D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
M  END
>  <Mol_ID> (406)
577

>  <Formula> (406)
C11H8O2

>  <MolWeight> (406)
172.18002

>  <Item Name> (406)
Menadione

>  <Catalog Number> (406)
S1949

>  <Synonyms> (406)
Vitamin K3

>  <Target> (406)
DNA/RNA Synthesis,phosphatase

>  <Form> (406)
Free Base

>  <URL> (406)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (406)
58-27-5

$$$$
Metformin hydrochloride.cdx
csChFnd80/10101813202D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (407)
578

>  <Formula> (407)
C4H12ClN5

>  <MolWeight> (407)
165.62458

>  <Item Name> (407)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (407)
S1950

>  <Synonyms> (407)
Glucophage, Riomet, Diabex

>  <Target> (407)
Others

>  <Form> (407)
Hydrochloride

>  <URL> (407)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (407)
1115-70-4

$$$$
Methoxsalen.cdx
csChFnd80/10101813202D

 16 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.3601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  2 14  2  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (408)
579

>  <Formula> (408)
C12H8O4

>  <MolWeight> (408)
216.18952

>  <Item Name> (408)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (408)
S1952

>  <Synonyms> (408)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (408)
P450 (e.g. CYP17)

>  <Form> (408)
Free Base

>  <URL> (408)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (408)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.5248    1.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373    2.3188    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.7373    3.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9455    1.6212    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 12 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 12  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (409)
580

>  <Formula> (409)
C18H15Cl4N3O4

>  <MolWeight> (409)
479.1414

>  <Item Name> (409)
Miconazole nitrate

>  <Catalog Number> (409)
S1956

>  <Synonyms> (409)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (409)
Antifection

>  <Form> (409)
Nitrate 

>  <URL> (409)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (409)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    3.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.7349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
>  <Mol_ID> (410)
581

>  <Formula> (410)
C12H14N2O2

>  <MolWeight> (410)
218.25176

>  <Item Name> (410)
Primidone (Mysoline)

>  <Catalog Number> (410)
S1965

>  <Synonyms> (410)
Mysoline, Neurosyn, Mylepsin

>  <Target> (410)
Sodium Channel

>  <Form> (410)
Free Base

>  <URL> (410)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (410)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/10101813202D

 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> (411)
582

>  <Formula> (411)
C14H18N2O2

>  <MolWeight> (411)
246.30492

>  <Item Name> (411)
Nefiracetam (Translon)

>  <Catalog Number> (411)
S1969

>  <Synonyms> (411)
DM 9384, Translon, DZL-221

>  <Target> (411)
GABA Receptor

>  <Form> (411)
Free Base

>  <URL> (411)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (411)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/10101813202D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.9035    2.8000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6911    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (412)
583

>  <Formula> (412)
C8H9N3O4

>  <MolWeight> (412)
211.17476

>  <Item Name> (412)
Nicorandil (Ikorel)

>  <Catalog Number> (412)
S1971

>  <Synonyms> (412)
SG-75

>  <Target> (412)
Potassium Channel

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (412)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/10101813202D

 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> (413)
584

>  <Formula> (413)
C32H37NO8

>  <MolWeight> (413)
563.63808

>  <Item Name> (413)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (413)
S1972

>  <Synonyms> (413)
Istubal

>  <Target> (413)
Estrogen/progestogen Receptor

>  <Form> (413)
Citrate

>  <URL> (413)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (413)
54965-24-1

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/10101813202D

 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> (414)
586

>  <Formula> (414)
C18H24BrNO4

>  <MolWeight> (414)
398.29146

>  <Item Name> (414)
Methscopolamine (Pamine)

>  <Catalog Number> (414)
S1978

>  <Synonyms> (414)
N/A 

>  <Target> (414)
AChR

>  <Form> (414)
quaternary-N bromide salt

>  <URL> (414)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (414)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  6 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <Mol_ID> (415)
587

>  <Formula> (415)
C7H10N2OS

>  <MolWeight> (415)
170.2321

>  <Item Name> (415)
Propylthiouracil

>  <Catalog Number> (415)
S1988

>  <Synonyms> (415)
6-n-Propylthiouracil

>  <Target> (415)
Others

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (415)
51-52-5

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/10101813202D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1326    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5921    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6  7  1  6  0  0  0
M  END
>  <Mol_ID> (416)
588

>  <Formula> (416)
C3H6N2O2

>  <MolWeight> (416)
102.09194

>  <Item Name> (416)
D-Cycloserine

>  <Catalog Number> (416)
S1998

>  <Synonyms> (416)
Seromycin

>  <Target> (416)
Antifection

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (416)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/10101813202D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (417)
589

>  <Formula> (417)
C4H7NaO2

>  <MolWeight> (417)
110.08695

>  <Item Name> (417)
Sodium butyrate

>  <Catalog Number> (417)
S1999

>  <Synonyms> (417)
Butyric acid sodium salt

>  <Target> (417)
HDAC

>  <Form> (417)
Sodium Salt

>  <URL> (417)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (417)
156-54-7

$$$$
untitled.cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2788    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    8.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    9.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   10.5152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    7.7104    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    2.1031    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8466    1.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445    0.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7079    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
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
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Integrase 

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Free Base

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

>  <CAS Number> (418)
697761-98-1

$$$$
untitled.cdx
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UK-427857, Celsentri 

>  <Target> (419)
CCR5 

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (419)
376348-65-1

$$$$
Raltegravir.cdx
csChFnd80/10101813202D

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Isentress 

>  <Target> (420)
Integrase

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (420)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/10101813202D

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>  <CAS Number> (421)
58-14-0

$$$$
Sulindac.cdx
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Clinoril, Aflodac, Sulreuma

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Free Base

>  <URL> (422)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (422)
38194-50-2

$$$$
Taurine.cdx
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M  END
>  <Mol_ID> (423)
597

>  <Formula> (423)
C2H7NO3S

>  <MolWeight> (423)
125.14688

>  <Item Name> (423)
Taurine

>  <Catalog Number> (423)
S2008

>  <Synonyms> (423)
2-Aminoethanesulfonic acid

>  <Target> (423)
Others

>  <Form> (423)
Free Base

>  <URL> (423)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (423)
107-35-7

$$$$
Silibinin.cdx
csChFnd80/10101813202D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (424)
600

>  <Formula> (424)
C25H22O10

>  <MolWeight> (424)
482.43618

>  <Item Name> (424)
Silibinin (Silybin)

>  <Catalog Number> (424)
S2357

>  <Synonyms> (424)
Silybin

>  <Target> (424)
Others

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (424)
22888-70-6

$$$$
Silymarin.cdx
csChFnd80/10101813202D

 35 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (425)
601

>  <Formula> (425)
C25H22O10

>  <MolWeight> (425)
482.43618

>  <Item Name> (425)
Silymarin (Silybin B)

>  <Catalog Number> (425)
S2358

>  <Synonyms> (425)
Silybin B, Silibinin B

>  <Target> (425)
NULL

>  <Form> (425)
Free Base

>  <URL> (425)
http://www.selleckchem.com/products/Silymarin(Silybin-B).html

>  <CAS Number> (425)
65666-07-1

$$$$
Tanshinone IIA.cdx
csChFnd80/10101813202D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (426)
607

>  <Formula> (426)
C19H18O3

>  <MolWeight> (426)
294.34442

>  <Item Name> (426)
Tanshinone IIA (Tanshinone B)

>  <Catalog Number> (426)
S2365

>  <Synonyms> (426)
Tanshinone B, Tanshinone II

>  <Target> (426)
Lipase

>  <Form> (426)
Free Base

>  <URL> (426)
http://www.selleckchem.com/products/Tanshinone-IIA(Tanshinone-B).html

>  <CAS Number> (426)
568-72-9

$$$$
Troxerutin.cdx
csChFnd80/10101813202D

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   13.3200    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    6.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13  9  1  0  0  0  0
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 14 15  2  0  0  0  0
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 16 18  1  0  0  0  0
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 22 23  1  0  0  0  0
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 25 20  1  0  0  0  0
 26 13  1  6  0  0  0
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 28 10  2  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
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 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
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 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (427)
610

>  <Formula> (427)
C33H42O19

>  <MolWeight> (427)
742.67518

>  <Item Name> (427)
Troxerutin

>  <Catalog Number> (427)
S2369

>  <Synonyms> (427)
Trihydroxyethylrutin, Troxerutin

>  <Target> (427)
Thrombin

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (427)
7085-55-4

$$$$
Ursolic acid.cdx
csChFnd80/10101813202D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    6.1124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    5.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
 19 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  1  0  0  0
 18 29  1  1  0  0  0
  9 30  1  1  0  0  0
  5 31  1  1  0  0  0
  2 32  1  1  0  0  0
  4 33  1  6  0  0  0
 10 34  1  6  0  0  0
 11 35  1  6  0  0  0
 21 36  1  6  0  0  0
M  END
>  <Mol_ID> (428)
611

>  <Formula> (428)
C30H48O3

>  <MolWeight> (428)
456.70032

>  <Item Name> (428)
Ursolic acid (Malol)

>  <Catalog Number> (428)
S2370

>  <Synonyms> (428)
Malol, Prunol, Urson

>  <Target> (428)
Others

>  <Form> (428)
Free Base

>  <URL> (428)
http://www.selleckchem.com/products/Ursolic-acid(Malol).html

>  <CAS Number> (428)
77-52-1

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4388    4.7859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    6.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9408    5.3177    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8776    6.3581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450    7.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0756    7.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3735    3.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7429    3.6951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6797    4.7355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2470    6.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    2.3636    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5449    2.0726    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4817    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0491    4.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6132    5.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    4.3277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7529    2.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9760    0.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2420    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773    1.6169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6731    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8874    0.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632    1.4463    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  3  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 16 22  1  1  0  0  0
 10 23  1  6  0  0  0
 15 24  1  6  0  0  0
 19 25  1  6  0  0  0
 18 26  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (429)
614

>  <Formula> (429)
C21H27ClN2O3

>  <MolWeight> (429)
390.90368

>  <Item Name> (429)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (429)
S2373

>  <Synonyms> (429)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (429)
NULL

>  <Form> (429)
Hydrochloride

>  <URL> (429)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (429)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4622    4.8963    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8933    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9598    7.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2579    6.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975    4.6062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (430)
615

>  <Formula> (430)
C11H12N2O3

>  <MolWeight> (430)
220.22458

>  <Item Name> (430)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (430)
S2374

>  <Synonyms> (430)
N/A 

>  <Target> (430)
Others

>  <Form> (430)
Free Base

>  <URL> (430)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (430)
56-69-9

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/10101813202D

 64 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4828    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6953    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1201    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9077    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    7.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3326    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9699    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9699    7.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7575    7.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7207    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4825    4.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724    5.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7373   10.1938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9398   10.9011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1634   10.2208    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.3644   10.9011    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3644   12.3009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1634   12.9812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9398   12.3009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1690   14.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5697   10.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5697   13.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1690    8.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9636   15.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3800   15.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7274   11.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1416    0.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  1  0  0  0  0
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 23 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
  4 30  1  6  0  0  0
  5 31  1  6  0  0  0
  1 32  1  1  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 13 36  2  0  0  0  0
  9 37  1  1  0  0  0
 12 38  1  1  0  0  0
 17 39  1  1  0  0  0
 24 40  1  1  0  0  0
 26 41  1  1  0  0  0
 28 42  1  1  0  0  0
 11 43  1  6  0  0  0
 18 44  1  6  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 27 47  1  6  0  0  0
 41 48  1  0  0  0  0
 41 49  2  0  0  0  0
 29 50  1  6  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 55 57  1  6  0  0  0
 53 58  1  6  0  0  0
 54 59  1  1  0  0  0
 52 60  1  1  0  0  0
 57 61  2  0  0  0  0
 57 62  1  0  0  0  0
 51 63  1  1  0  0  0
M  END
>  <Mol_ID> (431)
617

>  <Formula> (431)
C42H65NO16

>  <MolWeight> (431)
839.9626

>  <Item Name> (431)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (431)
S2376

>  <Synonyms> (431)
AMGZ

>  <Target> (431)
Dehydrogenase

>  <Form> (431)
Glycyrrhizic acid salt

>  <URL> (431)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (431)
1407-03-0

$$$$
Butylscopolamine bromide.cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5396    6.5698    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.4722    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6783    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0999    8.2398    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.9638    6.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    5.0225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6783    7.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    7.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    3.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19  8  1  6  0  0  0
 14 20  1  6  0  0  0
 13 21  1  6  0  0  0
 12 22  1  6  0  0  0
 11 23  1  1  0  0  0
 10 24  1  1  0  0  0
  9 25  2  0  0  0  0
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 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (432)
619

>  <Formula> (432)
C21H30BrNO4

>  <MolWeight> (432)
440.3712

>  <Item Name> (432)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (432)
S2378

>  <Synonyms> (432)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (432)
Others

>  <Form> (432)
Bromide

>  <URL> (432)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (432)
149-64-4

$$$$
D-Mannitol.cdx
csChFnd80/10101813202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  6  0  0  0
  6 10  1  6  0  0  0
  4 11  1  1  0  0  0
  5 12  1  1  0  0  0
M  END
>  <Mol_ID> (433)
622

>  <Formula> (433)
C6H14O6

>  <MolWeight> (433)
182.17176

>  <Item Name> (433)
D-Mannitol (Osmitrol)

>  <Catalog Number> (433)
S2381 

>  <Synonyms> (433)
Mannitol, Osmitrol, Osmofundin

>  <Target> (433)
Others

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (433)
69-65-8 

$$$$
Gastrodin.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   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
    7.2620    4.1951    0.0000 C   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
    9.6827    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  6  8  1  1  0  0  0
  2  9  1  1  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 14  1  0  0  0  0
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 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 18  1  6  0  0  0
  3 19  1  6  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (434)
624

>  <Formula> (434)
C13H18O7

>  <MolWeight> (434)
286.27782

>  <Item Name> (434)
Gastrodin (Gastrodine)

>  <Catalog Number> (434)
S2383

>  <Synonyms> (434)
Gastrodine

>  <Target> (434)
Others

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/Gastrodin(Gastrodine).html

>  <CAS Number> (434)
62499-27-8 

$$$$
Indirubin.cdx
csChFnd80/10101813202D

 20 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    7.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    8.1635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3646    3.4388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5190    4.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8964    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2683    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5594    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.9589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <Mol_ID> (435)
627

>  <Formula> (435)
C16H10N2O2

>  <MolWeight> (435)
262.2628

>  <Item Name> (435)
Indirubin

>  <Catalog Number> (435)
S2386

>  <Synonyms> (435)
N/A

>  <Target> (435)
GSK-3

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Indirubin.html

>  <CAS Number> (435)
479-41-4 

$$$$
L-carnitine.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4024    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2788    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  6  0  0  0
  1 10  1  0  0  0  0
  1 11  2  0  0  0  0
M  END
>  <Mol_ID> (436)
629

>  <Formula> (436)
C7H15NO3

>  <MolWeight> (436)
161.1989

>  <Item Name> (436)
L-carnitine (Levocarnitine)

>  <Catalog Number> (436)
S2388

>  <Synonyms> (436)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (436)
Others

>  <Form> (436)
quaternary-N  salt

>  <URL> (436)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (436)
541-15-1

$$$$
Polydatin.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
  6 24  1  1  0  0  0
  2 25  1  1  0  0  0
  1 26  1  6  0  0  0
  3 27  1  6  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (437)
631

>  <Formula> (437)
C20H22O8

>  <MolWeight> (437)
390.38388

>  <Item Name> (437)
Polydatin(Piceid)

>  <Catalog Number> (437)
S2390

>  <Synonyms> (437)
Piceid, 3,4,5-Tsg, 3,4,5-Trihydroxystilbene-3-beta-monoglucoside 

>  <Target> (437)
Phospholipase (e.g. PLA)

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/Polydatin(Piceid).html

>  <CAS Number> (437)
65914-17-2

$$$$
Sorbitol.cdx
csChFnd80/10101813202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  9  1  6  0  0  0
  4 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (438)
634

>  <Formula> (438)
C6H14O6

>  <MolWeight> (438)
182.17176

>  <Item Name> (438)
Sorbitol (Glucitol)

>  <Catalog Number> (438)
S2393

>  <Synonyms> (438)
Glucitol 

>  <Target> (438)
Others

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (438)
50-70-4 

$$$$
Pramipexole.cdx
csChFnd80/10101813202D

 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
  7  8  1  0  0  0  0
  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> (439)
640

>  <Formula> (439)
C10H21Cl2N3OS

>  <MolWeight> (439)
302.26424

>  <Item Name> (439)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (439)
S2011

>  <Synonyms> (439)
Mirapex 

>  <Target> (439)
Dopamine Receptor

>  <Form> (439)
Dihydrochloride monohydrate

>  <URL> (439)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (439)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3538    0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    0.8851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
M  END
>  <Mol_ID> (440)
641

>  <Formula> (440)
C11H12ClNO3S

>  <MolWeight> (440)
273.73588

>  <Item Name> (440)
Chlormezanone (Trancopal)

>  <Catalog Number> (440)
S2021

>  <Synonyms> (440)
Trancopal

>  <Target> (440)
Others

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (440)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/10101813202D

 45 50  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4702    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2224    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4404    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5404    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    3.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8597    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    6.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4928    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    8.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0679    8.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2803    4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1477    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9803    2.4807    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4130    3.8122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
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  8 15  2  0  0  0  0
 10 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 36 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 41  1  0  0  0  0
M  END
>  <Mol_ID> (441)
642

>  <Formula> (441)
C33H34N6O6

>  <MolWeight> (441)
610.65966

>  <Item Name> (441)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (441)
S2037

>  <Synonyms> (441)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (441)
RAAS

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (441)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/10101813202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  5 10  1  1  0  0  0
  6 11  1  1  0  0  0
  7 12  2  0  0  0  0
M  END
>  <Mol_ID> (442)
643

>  <Formula> (442)
C6H12O6

>  <MolWeight> (442)
180.15588

>  <Item Name> (442)
Dextrose (D-glucose)

>  <Catalog Number> (442)
S2123

>  <Synonyms> (442)
D-glucose, Grape sugar 

>  <Target> (442)
Others

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (442)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  3  8  1  6  0  0  0
  5  9  1  6  0  0  0
  4 10  1  6  0  0  0
M  END
>  <Mol_ID> (443)
644

>  <Formula> (443)
C5H10O5

>  <MolWeight> (443)
150.1299

>  <Item Name> (443)
Xylose

>  <Catalog Number> (443)
S2124

>  <Synonyms> (443)
N/A

>  <Target> (443)
Others

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (443)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8001    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869    6.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  3  0  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
M  END
>  <Mol_ID> (444)
645

>  <Formula> (444)
C21H26O2

>  <MolWeight> (444)
310.42994

>  <Item Name> (444)
Mestranol

>  <Catalog Number> (444)
S2125

>  <Synonyms> (444)
N/A

>  <Target> (444)
NULL

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (444)
72-33-3

$$$$
S-(+)-Rolipram.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6538    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6538    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0787    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    4.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4456    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    3.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2869    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4333    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8027    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5027    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5659    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8902    1.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 15  4  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (445)
647

>  <Formula> (445)
C16H21NO3

>  <MolWeight> (445)
275.34284

>  <Item Name> (445)
S-(+)-Rolipram

>  <Catalog Number> (445)
S2127

>  <Synonyms> (445)
N/A

>  <Target> (445)
PDE

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (445)
85416-73-5

$$$$
Fudosteine.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (446)
648

>  <Formula> (446)
C6H13NO3S

>  <MolWeight> (446)
179.23732

>  <Item Name> (446)
Fudosteine

>  <Catalog Number> (446)
S2129

>  <Synonyms> (446)
N/A

>  <Target> (446)
Others

>  <Form> (446)
Free Base

>  <URL> (446)
http://www.selleckchem.com/products/Fudosteine.html

>  <CAS Number> (446)
13189-98-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/10101813202D

 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
    4.7356   12.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569   11.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364   10.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0962   10.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764   11.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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M  END
>  <Mol_ID> (447)
649

>  <Formula> (447)
C34H50N2O11S

>  <MolWeight> (447)
694.8326

>  <Item Name> (447)
Atropine sulfate monohydrate

>  <Catalog Number> (447)
S2130

>  <Synonyms> (447)
Tropine 

>  <Target> (447)
AChR

>  <Form> (447)
Sulfate monohydrate

>  <URL> (447)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (447)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  4  9  1  0  0  0  0
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M  END
>  <Mol_ID> (448)
650

>  <Formula> (448)
C17H14Cl2F2N2O3

>  <MolWeight> (448)
403.2074664

>  <Item Name> (448)
Roflumilast (Daxas)

>  <Catalog Number> (448)
S2131

>  <Synonyms> (448)
Daxas

>  <Target> (448)
PDE

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (448)
162401-32-3

$$$$
E7080.cdx
csChFnd80/10101813202D

 30 33  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> (449)
652

>  <Formula> (449)
C21H19ClN4O4

>  <MolWeight> (449)
426.85296

>  <Item Name> (449)
E7080 (Lenvatinib)

>  <Catalog Number> (449)
S1164 

>  <Synonyms> (449)
N/A

>  <Target> (449)
VEGFR

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (449)
417716-92-8

$$$$
Biotin.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.7008    2.5353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (450)
654

>  <Formula> (450)
C10H16N2O3S

>  <MolWeight> (450)
244.31064

>  <Item Name> (450)
Biotin (Vitamin B7)

>  <Catalog Number> (450)
S3130

>  <Synonyms> (450)
N/A

>  <Target> (450)
Vitamin

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (450)
58-85-5

$$$$
Creatinine.cdx
csChFnd80/10101813202D

  8  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (451)
655

>  <Formula> (451)
C4H7N3O

>  <MolWeight> (451)
113.11788

>  <Item Name> (451)
Creatinine

>  <Catalog Number> (451)
S3102

>  <Synonyms> (451)
N/A 

>  <Target> (451)
Others

>  <Form> (451)
Free Base

>  <URL> (451)
http://www.selleckchem.com/products/creatinine.html

>  <CAS Number> (451)
60-27-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/10101813202D

 33 36  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> (452)
656

>  <Formula> (452)
C24H31FO6

>  <MolWeight> (452)
434.4977432

>  <Item Name> (452)
Dexamethasone acetate

>  <Catalog Number> (452)
S3124

>  <Synonyms> (452)
N/A

>  <Target> (452)
IL Receptor,Autophagy

>  <Form> (452)
Free Base

>  <URL> (452)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (452)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (453)
658

>  <Formula> (453)
C24H32O4

>  <MolWeight> (453)
384.50848

>  <Item Name> (453)
Ethynodiol diacetate

>  <Catalog Number> (453)
S3160

>  <Synonyms> (453)
N/A 

>  <Target> (453)
Estrogen/progestogen Receptor

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (453)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    6.3000    0.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (454)
659

>  <Formula> (454)
C17H22ClNO

>  <MolWeight> (454)
291.81568

>  <Item Name> (454)
Atomoxetine HCl

>  <Catalog Number> (454)
S3175

>  <Synonyms> (454)
N/A 

>  <Target> (454)
5-HT Receptor

>  <Form> (454)
hydrochloride

>  <URL> (454)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (454)
82248-59-7

$$$$
GSK 1292263.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
   15.0436    2.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (455)
661

>  <Formula> (455)
C23H28N4O4S

>  <MolWeight> (455)
456.55782

>  <Item Name> (455)
GSK1292263

>  <Catalog Number> (455)
S2149

>  <Synonyms> (455)
N/A

>  <Target> (455)
GPR 

>  <Form> (455)
Free Base

>  <URL> (455)
http://www.selleckchem.com/products/GSK1292263.html

>  <CAS Number> (455)
1032823-75-8

$$$$
Neratinib.cdx
csChFnd80/10101813202D

 40 43  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (456)
662

>  <Formula> (456)
C30H29ClN6O3

>  <MolWeight> (456)
557.04266

>  <Item Name> (456)
Neratinib (HKI-272)

>  <Catalog Number> (456)
S2150

>  <Synonyms> (456)
N/A 

>  <Target> (456)
HER2, EGFR

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (456)
698387-09-6

$$$$
Methenamine.cdx
csChFnd80/10101813202D

 10 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6276    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923    3.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (457)
663

>  <Formula> (457)
C6H12N4

>  <MolWeight> (457)
140.18628

>  <Item Name> (457)
Methenamine (Mandelamine)

>  <Catalog Number> (457)
S3139

>  <Synonyms> (457)
N/A 

>  <Target> (457)
Antifection

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (457)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
   11.2870    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2870    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5037    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0746    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6497    2.1024    0.0000 C   0  0  3  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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  3  7  1  0  0  0  0
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  2  9  1  0  0  0  0
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M  END
>  <Mol_ID> (458)
664

>  <Formula> (458)
C16H21NO5S

>  <MolWeight> (458)
339.40664

>  <Item Name> (458)
Moguisteine

>  <Catalog Number> (458)
S3104

>  <Synonyms> (458)
N/A 

>  <Target> (458)
Others

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (458)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (459)
665

>  <Formula> (459)
C19H21FN2O4

>  <MolWeight> (459)
360.3794432

>  <Item Name> (459)
Nadifloxacin

>  <Catalog Number> (459)
S3105

>  <Synonyms> (459)
Nadixa 

>  <Target> (459)
Antifection

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (459)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.1550    1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650    2.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    1.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    1.5240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3660    3.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  2  0  0  0  0
M  END
>  <Mol_ID> (460)
666

>  <Formula> (460)
C20H24ClN

>  <MolWeight> (460)
313.86426

>  <Item Name> (460)
Amitriptyline HCl 

>  <Catalog Number> (460)
S3183

>  <Synonyms> (460)
N/A 

>  <Target> (460)
5-HT Receptor

>  <Form> (460)
hydrochloride

>  <URL> (460)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (460)
549-18-8

$$$$
LDE225.cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Synonyms> (461)
N/A 

>  <Target> (461)
Smoothened

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (461)
956697-53-3

$$$$
Dabigatran etexilate.cdx
csChFnd80/10101813202D

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>  <Item Name> (462)
BIBR-1048 (Dabigatran)

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S2154

>  <Synonyms> (462)
N/A 

>  <Target> (462)
Thrombin

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (462)
211915-06-9

$$$$
Tebipenem pivoxil.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (463)
670

>  <Formula> (463)
C22H31N3O6S2

>  <MolWeight> (463)
497.62804

>  <Item Name> (463)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (463)
S2159

>  <Synonyms> (463)
L-084, TBPM-PI, ME1211 

>  <Target> (463)
Antifection

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (463)
161715-24-8

$$$$
raf265.cdx
csChFnd80/10101813202D

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C24H16F6N6O

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RAF265 (CHIR-265)

>  <Catalog Number> (464)
S2161

>  <Synonyms> (464)
N/A 

>  <Target> (464)
Raf, VEGFR

>  <Form> (464)
Free Base

>  <URL> (464)
http://www.selleckchem.com/products/RAF265(CHIR-265).html

>  <CAS Number> (464)
927880-90-8

$$$$

csChFnd80/10101813202D

 33 33  0  0  0  0  0  0  0  0999 V2000
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  9 10  2  0  0  0  0
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 12 13  1  0  0  0  0
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M  END
>  <Mol_ID> (465)
672

>  <Formula> (465)
C24H30ClN3O5

>  <MolWeight> (465)
475.9651

>  <Item Name> (465)
ITF2357 (Givinostat)

>  <Catalog Number> (465)
S2170

>  <Synonyms> (465)
N/A 

>  <Target> (465)
HDAC 

>  <Form> (465)
Chloride

>  <URL> (465)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

>  <CAS Number> (465)
732302-99-7

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/10101813202D

 15 14  0  0  0  0  0  0  0  0999 V2000
    5.8958    2.0889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.9859    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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  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (466)
674

>  <Formula> (466)
C7H17Cl2N2O3P

>  <MolWeight> (466)
279.101241

>  <Item Name> (466)
Cyclophosphamide monohydrate

>  <Catalog Number> (466)
S2057

>  <Synonyms> (466)
N/A

>  <Target> (466)
DNA alkylator

>  <Form> (466)
Monohydrate

>  <URL> (466)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (466)
6055-19-2

$$$$
LY2784544.cdx
csChFnd80/10101813202D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0197    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 16 11  1  0  0  0  0
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 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (467)
677

>  <Formula> (467)
C23H25ClFN7O

>  <MolWeight> (467)
469.9423032

>  <Item Name> (467)
Gandotinib (LY2784544)

>  <Catalog Number> (467)
S2179

>  <Synonyms> (467)
N/A

>  <Target> (467)
JAK 

>  <Form> (467)
Free Base

>  <URL> (467)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (467)
1229236-86-5

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/10101813202D

 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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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  3  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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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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 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (468)
679

>  <Formula> (468)
C19H19ClN2

>  <MolWeight> (468)
310.82056

>  <Item Name> (468)
Desloratadine 

>  <Catalog Number> (468)
S4012

>  <Synonyms> (468)
N/A

>  <Target> (468)
Histamine Receptor

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (468)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4116    5.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7431    3.2338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (469)
680

>  <Formula> (469)
C7H10ClN3O3

>  <MolWeight> (469)
219.6256

>  <Item Name> (469)
Ornidazole

>  <Catalog Number> (469)
S3121

>  <Synonyms> (469)
N/A 

>  <Target> (469)
Antifection

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (469)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/10101813202D

 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
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M  END
>  <Mol_ID> (470)
681

>  <Formula> (470)
C22H32ClNO3

>  <MolWeight> (470)
393.94738

>  <Item Name> (470)
Oxybutynin chloride

>  <Catalog Number> (470)
S3117

>  <Synonyms> (470)
N/A 

>  <Target> (470)
AChR

>  <Form> (470)
Chloride

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

>  <CAS Number> (470)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (471)
682

>  <Formula> (471)
C20H23BCl2N2O9

>  <MolWeight> (471)
517.12162

>  <Item Name> (471)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (471)
S2181

>  <Synonyms> (471)
N/A

>  <Target> (471)
Proteasome

>  <Form> (471)
Free Base

>  <URL> (471)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (471)
1201902-80-8

$$$$
SB743921.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (472)
683

>  <Formula> (472)
C31H34Cl2N2O3

>  <MolWeight> (472)
553.51926

>  <Item Name> (472)
SB743921 HCl

>  <Catalog Number> (472)
S2182 

>  <Synonyms> (472)
N/A

>  <Target> (472)
Kinesin

>  <Form> (472)
Hydrochloride

>  <URL> (472)
http://www.selleckchem.com/products/SB-743921.html

>  <CAS Number> (472)
940929-33-9

$$$$
AVC (sulfanilamide).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (473)
685

>  <Formula> (473)
C6H8N2O2S

>  <MolWeight> (473)
172.20492

>  <Item Name> (473)
Sulfanilamide

>  <Catalog Number> (473)
S1685

>  <Synonyms> (473)
N/A

>  <Target> (473)
Antifection

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/Sulfanilamide.html

>  <CAS Number> (473)
63-74-1

$$$$
Avasimibe.cdx
csChFnd80/10101813202D

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166518-60-1 

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EGFR, HER2

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848942-61-0

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Microtubule Associated

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917111-44-5

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Aromatase 

>  <Form> (477)
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>  <URL> (477)
http://www.selleckchem.com/products/Formestane.html

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566-48-3

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M  END
>  <Mol_ID> (478)
700

>  <Formula> (478)
C23H24FN6Na2O9P

>  <MolWeight> (478)
624.4231642

>  <Item Name> (478)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (478)
S2206

>  <Synonyms> (478)
N/A 

>  <Target> (478)
Syk

>  <Form> (478)
Sodium Salt

>  <URL> (478)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (478)
1025687-58-4

$$$$
irinotecan.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (479)
705

>  <Formula> (479)
C33H45ClN4O9

>  <MolWeight> (479)
677.1848

>  <Item Name> (479)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (479)
S2217 

>  <Synonyms> (479)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (479)
Topoisomerase

>  <Form> (479)
HCl & trihydrat

>  <URL> (479)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (479)
136572-09-3

$$$$
CYT 387.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (480)
707

>  <Formula> (480)
C23H22N6O2

>  <MolWeight> (480)
414.45978

>  <Item Name> (480)
Momelotinib (CYT387)

>  <Catalog Number> (480)
S2219

>  <Synonyms> (480)
CYT 11387 

>  <Target> (480)
JAK 

>  <Form> (480)
Free Base

>  <URL> (480)
http://www.selleckchem.com/products/Cyt387.html

>  <CAS Number> (480)
1056634-68-4

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (481)
710

>  <Formula> (481)
C22H18O11

>  <MolWeight> (481)
458.37172

>  <Item Name> (481)
(-)-Epigallocatechin gallate

>  <Catalog Number> (481)
S2250

>  <Synonyms> (481)
EGCG

>  <Target> (481)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (481)
Free Base

>  <URL> (481)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

>  <CAS Number> (481)
989-51-5

$$$$
4-Methylumbelliferone.cdx
csChFnd80/10101813202D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (482)
714

>  <Formula> (482)
C10H8O3

>  <MolWeight> (482)
176.16872

>  <Item Name> (482)
4-Methylumbelliferone (4-MU)

>  <Catalog Number> (482)
S2256

>  <Synonyms> (482)
4-MU

>  <Target> (482)
Others

>  <Form> (482)
Free Base

>  <URL> (482)
http://www.selleckchem.com/products/4-Methylumbelliferone(4-MU).html

>  <CAS Number> (482)
90-33-5

$$$$
Andrographolide.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (483)
717

>  <Formula> (483)
C20H30O5

>  <MolWeight> (483)
350.4492

>  <Item Name> (483)
Andrographolide

>  <Catalog Number> (483)
S2261

>  <Synonyms> (483)
N/A

>  <Target> (483)
NF-¦ÊB

>  <Form> (483)
Free Base

>  <URL> (483)
http://www.selleckchem.com/products/Andrographolide.html

>  <CAS Number> (483)
5508-58-7

$$$$
Apigenin.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
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    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (484)
718

>  <Formula> (484)
C15H10O5

>  <MolWeight> (484)
270.2369

>  <Item Name> (484)
Apigenin

>  <Catalog Number> (484)
S2262

>  <Synonyms> (484)
N/A

>  <Target> (484)
P450

>  <Form> (484)
Free Base

>  <URL> (484)
http://www.selleckchem.com/products/Apigenin.html

>  <CAS Number> (484)
520-36-5

$$$$
Arbutin.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (485)
719

>  <Formula> (485)
C12H16O7

>  <MolWeight> (485)
272.25124

>  <Item Name> (485)
Arbutin (Uva, p-Arbutin)

>  <Catalog Number> (485)
S2263

>  <Synonyms> (485)
Uva, Ursi, p-Arbutin, Hydroquinone ¦Â-D-glucopyranoside 

>  <Target> (485)
Estrogen/progestogen Receptor

>  <Form> (485)
Free Base

>  <URL> (485)
http://www.selleckchem.com/products/Arbutin(Uva,-p-Arbutin).html

>  <CAS Number> (485)
497-76-7

$$$$
Ipriflavone.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (486)
720

>  <Formula> (486)
C18H16O3

>  <MolWeight> (486)
280.31784

>  <Item Name> (486)
Ipriflavone

>  <Catalog Number> (486)
S2422 

>  <Synonyms> (486)
N/A 

>  <Target> (486)
Others

>  <Form> (486)
Free Base

>  <URL> (486)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (486)
35212-22-7

$$$$
VX 765.cdx
csChFnd80/10101813202D

 35 37  0  0  0  0  0  0  0  0999 V2000
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    7.2517    1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6517    1.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0843    3.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6066    3.7323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3942    3.0323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6066    5.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    3.7299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0396    5.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6702    5.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9702    4.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    3.1604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1028    6.6878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    1.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  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  2  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  6  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 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 15  1  0  0  0  0
 20 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 27 25  1  6  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 27  1  0  0  0  0
 29 32  2  0  0  0  0
 31 33  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (487)
727

>  <Formula> (487)
C24H33ClN4O6

>  <MolWeight> (487)
508.99502

>  <Item Name> (487)
Belnacasan (VX-765)

>  <Catalog Number> (487)
S2228

>  <Synonyms> (487)
N/A

>  <Target> (487)
Caspase

>  <Form> (487)
Free Base

>  <URL> (487)
http://www.selleckchem.com/products/VX-765.html

>  <CAS Number> (487)
273404-37-8

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (488)
729

>  <Formula> (488)
C20H18ClNO4

>  <MolWeight> (488)
371.81422

>  <Item Name> (488)
Berberine chloride

>  <Catalog Number> (488)
S2271

>  <Synonyms> (488)
N/A

>  <Target> (488)
Antifection

>  <Form> (488)
chloride

>  <URL> (488)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

>  <CAS Number> (488)
633-65-8

$$$$
Bilobalide.cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.2921    5.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9921    3.4147    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4247    4.7462    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1595    2.0832    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2921    1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.0832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1247    2.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2574    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247    4.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    4.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    3.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    2.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    5.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5842    2.9836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4770    2.2294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6372    1.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9895    1.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4551    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6271    0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1247    5.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0624    0.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    0.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  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  4  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 11  1  6  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  6  0  0  0
 13 15  2  0  0  0  0
  2 16  2  0  0  0  0
 10 17  2  0  0  0  0
  9 18  1  6  0  0  0
  8 19  1  6  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
  5 23  1  1  0  0  0
  8 24  1  1  0  0  0
  6 25  1  1  0  0  0
M  END
>  <Mol_ID> (489)
731

>  <Formula> (489)
C15H18O8

>  <MolWeight> (489)
326.29862

>  <Item Name> (489)
Bilobalide

>  <Catalog Number> (489)
S2276

>  <Synonyms> (489)
N/A

>  <Target> (489)
Others

>  <Form> (489)
Free Base

>  <URL> (489)
http://www.selleckchem.com/products/Bilobalide.html

>  <CAS Number> (489)
33570-04-6

$$$$
Caffeic acid.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (490)
732

>  <Formula> (490)
C9H8O4

>  <MolWeight> (490)
180.15742

>  <Item Name> (490)
Caffeic acid

>  <Catalog Number> (490)
S2277

>  <Synonyms> (490)
N/A

>  <Target> (490)
Others

>  <Form> (490)
Free Base

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

>  <CAS Number> (490)
331-39-5

$$$$
Chlorogenic acid.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (491)
733

>  <Formula> (491)
C16H18O9

>  <MolWeight> (491)
354.30872

>  <Item Name> (491)
Chlorogenic acid

>  <Catalog Number> (491)
S2280

>  <Synonyms> (491)
N/A

>  <Target> (491)
Others

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Chlorogenic-acid.html

>  <CAS Number> (491)
327-97-9

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.9024    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4955    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7000    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
    8.4913    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3443    1.4406    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  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
 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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 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
 23 27  2  0  0  0  0
 13 28  1  0  0  0  0
M  END
>  <Mol_ID> (492)
737

>  <Formula> (492)
C20H25ClN2O5

>  <MolWeight> (492)
408.8759

>  <Item Name> (492)
Amlodipine (Norvasc)

>  <Catalog Number> (492)
S1905

>  <Synonyms> (492)
Istin, Norvasc, Caduet

>  <Target> (492)
Calcium Channel

>  <Form> (492)
Free Base

>  <URL> (492)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (492)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/10101813202D

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    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9330    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3494    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (493)
738

>  <Formula> (493)
C62H111N11O12

>  <MolWeight> (493)
1202.61124

>  <Item Name> (493)
Cyclosporin A

>  <Catalog Number> (493)
S2286

>  <Synonyms> (493)
Cyclosporine A

>  <Target> (493)
phosphatase

>  <Form> (493)
Free Base

>  <URL> (493)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (493)
59865-13-3

$$$$
dihydroartemisinin.cdx
csChFnd80/10101813202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
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 14  5  1  0  0  0  0
  6 15  1  1  0  0  0
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M  END
>  <Mol_ID> (494)
740

>  <Formula> (494)
C15H24O5

>  <MolWeight> (494)
284.34806

>  <Item Name> (494)
Dihydroartemisinin (DHA)

>  <Catalog Number> (494)
S2290

>  <Synonyms> (494)
N/A 

>  <Target> (494)
Others

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (494)
71939-50-9

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/10101813202D

 12 10  0  0  0  0  0  0  0  0999 V2000
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    7.2578    2.2337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0797    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (495)
743

>  <Formula> (495)
C7H16ClNO3

>  <MolWeight> (495)
197.65984

>  <Item Name> (495)
DL-Carnitine hydrochloride

>  <Catalog Number> (495)
S2293

>  <Synonyms> (495)
N/A

>  <Target> (495)
Others

>  <Form> (495)
Hydrochloride

>  <URL> (495)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (495)
461-05-2

$$$$
Enoxolone.cdx
csChFnd80/10101813202D

 38 42  0  0  0  0  0  0  0  0999 V2000
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   11.8977    8.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  0  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 18 27  1  1  0  0  0
 17 28  1  1  0  0  0
  2 29  1  6  0  0  0
  3 30  1  0  0  0  0
  4 31  1  6  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 21 34  1  6  0  0  0
 21 35  1  1  0  0  0
 14 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (496)
746

>  <Formula> (496)
C30H46O4

>  <MolWeight> (496)
470.68384

>  <Item Name> (496)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (496)
S2296

>  <Synonyms> (496)
Glycyrrhetin, Uralenic acid 

>  <Target> (496)
Dehydrogenase

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (496)
471-53-4

$$$$
Fisetin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (497)
749

>  <Formula> (497)
C15H10O6

>  <MolWeight> (497)
286.2363

>  <Item Name> (497)
Fisetin (Fustel)

>  <Catalog Number> (497)
S2298

>  <Synonyms> (497)
Fustel, Viset

>  <Target> (497)
Sirtuin

>  <Form> (497)
Free Base

>  <URL> (497)
http://www.selleckchem.com/products/Fisetin(Fustel).html

>  <CAS Number> (497)
528-48-3

$$$$
Glycyrrhizic acid.cdx
csChFnd80/10101813202D

 61 67  0  0  0  0  0  0  0  0999 V2000
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   10.8993    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1117    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5366    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3242    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7490    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (498)
752

>  <Formula> (498)
C42H62O16

>  <MolWeight> (498)
822.93208

>  <Item Name> (498)
Glycyrrhizin (Glycyrrhizic Acid)

>  <Catalog Number> (498)
S2302

>  <Synonyms> (498)
N/A

>  <Target> (498)
Others

>  <Form> (498)
Free Base

>  <URL> (498)
http://www.selleckchem.com/products/Glycyrrhizic-acid.html

>  <CAS Number> (498)
1405-86-3

$$$$
Tolbutamide.cdx
csChFnd80/10101813202D

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (499)
756

>  <Formula> (499)
C12H18N2O3S

>  <MolWeight> (499)
270.34792

>  <Item Name> (499)
Tolbutamide

>  <Catalog Number> (499)
S2443 

>  <Synonyms> (499)
N/A 

>  <Target> (499)
Potassium Channel 

>  <Form> (499)
Free Base

>  <URL> (499)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (499)
64-77-7

$$$$
Hesperidin.cdx
csChFnd80/10101813202D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2704    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9077    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3326    8.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    9.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5408   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9657   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657   11.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   12.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9035    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532   13.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   12.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1739   13.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 10  8  1  1  0  0  0
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 16 11  1  0  0  0  0
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 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
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 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
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 35 28  1  0  0  0  0
 16 36  1  6  0  0  0
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 27 39  2  0  0  0  0
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 23 43  1  0  0  0  0
M  END
>  <Mol_ID> (500)
758

>  <Formula> (500)
C28H34O15

>  <MolWeight> (500)
610.56056

>  <Item Name> (500)
Hesperidin

>  <Catalog Number> (500)
S2309

>  <Synonyms> (500)
N/A

>  <Target> (500)
NULL

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/Hesperidin.html

>  <CAS Number> (500)
520-26-3

$$$$
Honokiol.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.0951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1951    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (501)
759

>  <Formula> (501)
C18H18O2

>  <MolWeight> (501)
266.33432

>  <Item Name> (501)
Honokiol

>  <Catalog Number> (501)
S2310

>  <Synonyms> (501)
N/A

>  <Target> (501)
Akt, MEK

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/Honokiol.html

>  <CAS Number> (501)
35354-74-6

$$$$
Icariin.cdx
csChFnd80/10101813202D

 48 52  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 31 20  1  0  0  0  0
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 24 34  1  1  0  0  0
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 26 36  1  6  0  0  0
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 29 47  1  0  0  0  0
 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (502)
761

>  <Formula> (502)
C33H40O15

>  <MolWeight> (502)
676.6617

>  <Item Name> (502)
Icariin

>  <Catalog Number> (502)
S2312

>  <Synonyms> (502)
N/A

>  <Target> (502)
PDE

>  <Form> (502)
Free Base

>  <URL> (502)
http://www.selleckchem.com/products/Icariin.html

>  <CAS Number> (502)
489-32-7

$$$$
Indole-3-carbinol.cdx
csChFnd80/10101813202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5398    4.2218    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
M  END
>  <Mol_ID> (503)
762

>  <Formula> (503)
C9H9NO

>  <MolWeight> (503)
147.17386

>  <Item Name> (503)
Indole-3-carbinol

>  <Catalog Number> (503)
S2313

>  <Synonyms> (503)
N/A

>  <Target> (503)
NF-¦ÊB

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/Indole-3-carbinol.html

>  <CAS Number> (503)
700-06-1

$$$$
Kinetin.cdx
csChFnd80/10101813202D

 16 18  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.1180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (504)
764

>  <Formula> (504)
C10H9N5O

>  <MolWeight> (504)
215.21136

>  <Item Name> (504)
Kinetin (6-Furfuryladenine)

>  <Catalog Number> (504)
S2316

>  <Synonyms> (504)
6-Furfuryladenine, N6-Furfuryladenine, 6-Furfurylaminopurine,Cytokinin 

>  <Target> (504)
Others

>  <Form> (504)
Free Base

>  <URL> (504)
http://www.selleckchem.com/products/Kinetin(6-Furfuryladenine).html

>  <CAS Number> (504)
525-79-1

$$$$
Luteolin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (505)
767

>  <Formula> (505)
C15H10O6

>  <MolWeight> (505)
286.2363

>  <Item Name> (505)
Luteolin

>  <Catalog Number> (505)
S2320

>  <Synonyms> (505)
3',4',5,7-Tetrahydroxyflavone, Luteoline, Luteolol

>  <Target> (505)
PDE

>  <Form> (505)
Free Base

>  <URL> (505)
http://www.selleckchem.com/products/Luteolin(Luteolol).html

>  <CAS Number> (505)
491-70-3 

$$$$
Nalidixic acid.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
  3 14  2  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (506)
774

>  <Formula> (506)
C12H12N2O3

>  <MolWeight> (506)
232.23528

>  <Item Name> (506)
Nalidixic acid (NegGram)

>  <Catalog Number> (506)
S2328

>  <Synonyms> (506)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (506)
Topoisomerase

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (506)
389-08-2

$$$$
OROTIC ACID.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  2  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (507)
780

>  <Formula> (507)
C5H4N2O4

>  <MolWeight> (507)
156.09626

>  <Item Name> (507)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (507)
S2336

>  <Synonyms> (507)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (507)
Others

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (507)
65-86-1

$$$$
Oxymatrine.cdx
csChFnd80/10101813202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    7.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 11 19  1  1  0  0  0
  5 20  1  6  0  0  0
 10 21  1  6  0  0  0
  6 22  1  6  0  0  0
  4 23  1  0  0  0  0
M  END
>  <Mol_ID> (508)
782

>  <Formula> (508)
C15H24N2O2

>  <MolWeight> (508)
264.36326

>  <Item Name> (508)
Oxymatrine (Matrine N-oxide)

>  <Catalog Number> (508)
S2338

>  <Synonyms> (508)
Matrine N-oxide, Matrine oxide, Matrine 1beta-oxide 

>  <Target> (508)
Others

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/Oxymatrine(Matrine-N-oxide).html

>  <CAS Number> (508)
16837-52-8 

$$$$
Parthenolide.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (509)
784

>  <Formula> (509)
C15H20O3

>  <MolWeight> (509)
248.3175

>  <Item Name> (509)
Parthenolide ((-)-Parthenolide)

>  <Catalog Number> (509)
S2341

>  <Synonyms> (509)
N/A 

>  <Target> (509)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (509)
Free Base

>  <URL> (509)
http://www.selleckchem.com/products/Parthenolide((-)-Parthenolide).html

>  <CAS Number> (509)
20554-84-1

$$$$
Puerarin.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.6700    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892    3.5641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7890    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4697    4.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7504    6.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3506    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2702    4.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5896    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3088    2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7086    2.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1946    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5535    5.9399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8646    4.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5058    2.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754    4.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    4.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3950    3.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1142    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140    2.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6347    1.2166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    1.2166    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7048    2.4117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0343    3.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6347    3.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    2.4117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9518    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7393    0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0492    6.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 20 14  1  6  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 27  1  1  0  0  0
 22 28  1  1  0  0  0
 25 29  1  6  0  0  0
 23 30  1  6  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (510)
788

>  <Formula> (510)
C21H20O10

>  <MolWeight> (510)
432.3775

>  <Item Name> (510)
Puerarin (Kakonein)

>  <Catalog Number> (510)
S2346

>  <Synonyms> (510)
NPI-31G 

>  <Target> (510)
5-HT Receptor

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/Puerarin(Kakonein).html

>  <CAS Number> (510)
3681-99-0

$$$$
Quercetin dihydrate.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (511)
789

>  <Formula> (511)
C15H14O9

>  <MolWeight> (511)
338.26626

>  <Item Name> (511)
Quercetin dihydrate (Sophoretin)

>  <Catalog Number> (511)
S2347

>  <Synonyms> (511)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (511)
Others

>  <Form> (511)
Dihydrate

>  <URL> (511)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

>  <CAS Number> (511)
6151-25-3

$$$$
Rutin DAB10.cdx
csChFnd80/10101813202D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   15.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 13 17  1  1  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
  2 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 28 32  1  0  0  0  0
 29 33  1  0  0  0  0
  3 34  2  0  0  0  0
  7 35  1  0  0  0  0
  9 36  1  0  0  0  0
 11 25  1  1  0  0  0
 15 37  1  1  0  0  0
 22 38  1  1  0  0  0
 21 39  1  6  0  0  0
 23 40  1  6  0  0  0
 24 41  1  6  0  0  0
 14 42  1  6  0  0  0
 16 43  1  6  0  0  0
M  END
>  <Mol_ID> (512)
791

>  <Formula> (512)
C27H30O16

>  <MolWeight> (512)
610.5175

>  <Item Name> (512)
Rutin (Rutoside)

>  <Catalog Number> (512)
S2350

>  <Synonyms> (512)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (512)
NULL

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (512)
153-18-4

$$$$
Curcumol.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (513)
802

>  <Formula> (513)
C15H24O2

>  <MolWeight> (513)
236.34986

>  <Item Name> (513)
Curcumol

>  <Catalog Number> (513)
S2407

>  <Synonyms> (513)
N/A

>  <Target> (513)
JAK

>  <Form> (513)
Free Base

>  <URL> (513)
http://www.selleckchem.com/products/Curcumol.html

>  <CAS Number> (513)
4871-97-0

$$$$
Amantadine HCl.cdx
csChFnd80/10101813202D

 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> (514)
803

>  <Formula> (514)
C10H18ClN

>  <MolWeight> (514)
187.70962

>  <Item Name> (514)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (514)
S2451

>  <Synonyms> (514)
Symmetrel

>  <Target> (514)
Dopamine Receptor

>  <Form> (514)
Hydrochloride

>  <URL> (514)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (514)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/10101813202D

 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> (515)
804

>  <Formula> (515)
C13H19Cl2NO

>  <MolWeight> (515)
276.20206

>  <Item Name> (515)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (515)
S2452

>  <Synonyms> (515)
Wellbutrin, Zyban, Budeprion

>  <Target> (515)
Dopamine Receptor

>  <Form> (515)
Hydrochloride

>  <URL> (515)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (515)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/10101813202D

 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> (516)
805

>  <Formula> (516)
C10H16ClN3O5

>  <MolWeight> (516)
293.70414

>  <Item Name> (516)
Benserazide HCl

>  <Catalog Number> (516)
S2453

>  <Synonyms> (516)
Ro-4-4602

>  <Target> (516)
Dopamine Receptor

>  <Form> (516)
Hydrochloride

>  <URL> (516)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (516)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/10101813202D

 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> (517)
806

>  <Formula> (517)
C18H29ClN2O

>  <MolWeight> (517)
324.88866

>  <Item Name> (517)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (517)
S2454

>  <Synonyms> (517)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (517)
Sodium Channel

>  <Form> (517)
Hydrochloride

>  <URL> (517)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (517)
18010-40-7

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/10101813202D

 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> (518)
808

>  <Formula> (518)
C7H17ClN2O2

>  <MolWeight> (518)
196.67508

>  <Item Name> (518)
Bethanechol chloride

>  <Catalog Number> (518)
S2455

>  <Synonyms> (518)
N/A 

>  <Target> (518)
AChR

>  <Form> (518)
quaternary-N Chloride salt

>  <URL> (518)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (518)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7452    6.2563    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
>  <Mol_ID> (519)
809

>  <Formula> (519)
C17H20Cl2N2S

>  <MolWeight> (519)
355.3251

>  <Item Name> (519)
Chlorpromazine HCl

>  <Catalog Number> (519)
S2456

>  <Synonyms> (519)
Sonazine

>  <Target> (519)
Dopamine Receptor, Potassium Channel

>  <Form> (519)
Hydrochloride

>  <URL> (519)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (519)
69-09-0

$$$$
Clonidine HCl.cdx
csChFnd80/10101813202D

 15 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7118    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.3142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.5191    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    2.2243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    4.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7333    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (520)
810

>  <Formula> (520)
C9H10Cl3N3

>  <MolWeight> (520)
266.5548

>  <Item Name> (520)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (520)
S2458

>  <Synonyms> (520)
Catapres

>  <Target> (520)
Adrenergic Receptor

>  <Form> (520)
Hydrochloride

>  <URL> (520)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (520)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/10101813202D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2701    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2071    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1808    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5754    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9715    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3942    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7868    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
  9 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (521)
811

>  <Formula> (521)
C18H19ClN4

>  <MolWeight> (521)
326.82326

>  <Item Name> (521)
Clozapine (Clozaril)

>  <Catalog Number> (521)
S2459

>  <Synonyms> (521)
Leponex, Fazaclo

>  <Target> (521)
5-HT Receptor

>  <Form> (521)
Free Base

>  <URL> (521)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (521)
5786-21-0

$$$$
Dehydroepiandrosterone.cdx
csChFnd80/10101813202D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9642    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  2  0  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
M  END
>  <Mol_ID> (522)
813

>  <Formula> (522)
C19H28O2

>  <MolWeight> (522)
288.42442

>  <Item Name> (522)
Dehydroepiandrosterone (DHEA)

>  <Catalog Number> (522)
S2604

>  <Synonyms> (522)
DHEA

>  <Target> (522)
Androgen Receptor

>  <Form> (522)
Free Base

>  <URL> (522)
http://www.selleckchem.com/products/Dehydroepiandrosterone(DHEA).html

>  <CAS Number> (522)
53-43-0

$$$$
Domperidone.cdx
csChFnd80/10101813202D

 30 34  0  0  0  0  0  0  0  0999 V2000
    5.2260    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    2.1944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2798    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673    4.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8549    3.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4880    4.2920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7670    3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7037    4.7630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0037    5.9754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6343    5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1996    2.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5690    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5058    3.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0731    4.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    4.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5975    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    2.8503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  4  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
  6 28  2  0  0  0  0
 23 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (523)
814

>  <Formula> (523)
C22H24ClN5O2

>  <MolWeight> (523)
425.91126

>  <Item Name> (523)
Domperidone (Motilium)

>  <Catalog Number> (523)
S2461

>  <Synonyms> (523)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (523)
Dopamine Receptor

>  <Form> (523)
Free Base

>  <URL> (523)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (523)
57808-66-9

$$$$
Donepezil HCl.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.7927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1295    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2621    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.8041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2989    3.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0911    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8787    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9442    5.5606    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (524)
815

>  <Formula> (524)
C24H30ClNO3

>  <MolWeight> (524)
415.9529

>  <Item Name> (524)
Donepezil HCl (Aricept)

>  <Catalog Number> (524)
S2462

>  <Synonyms> (524)
N/A 

>  <Target> (524)
AChR

>  <Form> (524)
Hydrochloride

>  <URL> (524)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (524)
120011-70-3

$$$$
Estriol.cdx
csChFnd80/10101813202D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (525)
816

>  <Formula> (525)
C18H24O3

>  <MolWeight> (525)
288.38136

>  <Item Name> (525)
Estriol

>  <Catalog Number> (525)
S2466

>  <Synonyms> (525)
Oestriol

>  <Target> (525)
Estrogen/progestogen Receptor

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (525)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.5253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.2253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    9.9580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7521    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9604    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3357    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1275    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (526)
817

>  <Formula> (526)
C14H19N5O4

>  <MolWeight> (526)
321.33176

>  <Item Name> (526)
Famciclovir (Famvir)

>  <Catalog Number> (526)
S2467

>  <Synonyms> (526)
Famvir

>  <Target> (526)
Antifection

>  <Form> (526)
Free Base

>  <URL> (526)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (526)
104227-87-4

$$$$
Gallamine triethiodide.cdx
csChFnd80/10101813202D

 39 36  0  0  0  0  0  0  0  0999 V2000
    8.1209    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    1.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333    5.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    6.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5458    7.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540    8.2129    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7540    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1705    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3787    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.9127    4.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4962    4.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880    3.3250    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.9664    8.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4540    7.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0540    9.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540   10.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3187    8.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    5.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5911    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6787    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0787    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4310    4.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9535    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3264    1.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    4.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9880    2.1126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    0.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    2.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.0924    4.7392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
    8.7924    3.3392    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (527)
820

>  <Formula> (527)
C30H60I3N3O3

>  <MolWeight> (527)
891.52911

>  <Item Name> (527)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (527)
S2471

>  <Synonyms> (527)
Flaxedil

>  <Target> (527)
AChR

>  <Form> (527)
tri-quaternary-N iodide salt

>  <URL> (527)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (527)
65-29-2

$$$$
Imatinib.cdx
csChFnd80/10101813202D

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.8371   10.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2082    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (528)
823

>  <Formula> (528)
C29H31N7O

>  <MolWeight> (528)
493.60274

>  <Item Name> (528)
Imatinib (STI571) 

>  <Catalog Number> (528)
S2475 

>  <Synonyms> (528)
STI571, Glivec

>  <Form> (528)
Free Base

>  <URL> (528)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (528)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/10101813202D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (529)
824

>  <Formula> (529)
C18H35ClN2O6S

>  <MolWeight> (529)
442.9983

>  <Item Name> (529)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (529)
S2479

>  <Synonyms> (529)
Lincocin

>  <Target> (529)
Antifection

>  <Form> (529)
Hydrochloride

>  <URL> (529)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (529)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (530)
825

>  <Formula> (530)
C29H34Cl2N2O2

>  <MolWeight> (530)
513.49846

>  <Item Name> (530)
Loperamide hydrochloride

>  <Catalog Number> (530)
S2480

>  <Synonyms> (530)
N/A

>  <Target> (530)
Opioid Receptor

>  <Form> (530)
Hydrochloride

>  <URL> (530)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (530)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (531)
826

>  <Formula> (531)
C35H38N4O6

>  <MolWeight> (531)
610.69942

>  <Item Name> (531)
Manidipine (Manyper)

>  <Catalog Number> (531)
S2481

>  <Synonyms> (531)
Artedil, Iperten 

>  <Target> (531)
Calcium Channel

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (531)
89226-50-6

$$$$
PCI-32765.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (532)
830

>  <Formula> (532)
C25H24N6O2

>  <MolWeight> (532)
440.49706

>  <Item Name> (532)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (532)
S2680

>  <Synonyms> (532)
N/A

>  <Target> (532)
Src

>  <Form> (532)
Free Base

>  <URL> (532)
http://www.selleckchem.com/products/pci-32765.html

>  <CAS Number> (532)
936563-96-1

$$$$
Milrinone.cdx
csChFnd80/10101813202D

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    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  3  0  0  0  0
M  END
>  <Mol_ID> (533)
837

>  <Formula> (533)
C12H9N3O

>  <MolWeight> (533)
211.21936

>  <Item Name> (533)
Milrinone (Primacor)

>  <Catalog Number> (533)
S2484

>  <Synonyms> (533)
Primacor

>  <Target> (533)
ATPase

>  <Form> (533)
Free Base

>  <URL> (533)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (533)
78415-72-2

$$$$

csChFnd80/10101813202D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -3.5003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -9.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084   -3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -2.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -9.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (534)
838

>  <Formula> (534)
C22H30Cl2N4O6

>  <MolWeight> (534)
517.4028

>  <Item Name> (534)
Mitoxantrone 2HCl

>  <Catalog Number> (534)
S2485

>  <Synonyms> (534)
NSC-301739

>  <Target> (534)
Topoisomerase

>  <Form> (534)
Dihydrochloride

>  <URL> (534)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (534)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8014    1.3417    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (535)
839

>  <Formula> (535)
C6H14ClN5O

>  <MolWeight> (535)
207.66126

>  <Item Name> (535)
Moroxydine HCl

>  <Catalog Number> (535)
S2486

>  <Synonyms> (535)
N/A

>  <Target> (535)
Antifection

>  <Form> (535)
Hydrochloride

>  <URL> (535)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (535)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3918    5.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6288    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8412    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0495    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
  7 14  2  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (536)
840

>  <Formula> (536)
C17H20O6

>  <MolWeight> (536)
320.3371

>  <Item Name> (536)
Mycophenolic acid

>  <Catalog Number> (536)
S2487

>  <Synonyms> (536)
Mycophenolate, RS-61443

>  <Target> (536)
Dehydrogenase

>  <Form> (536)
Free Base

>  <URL> (536)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (536)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (537)
841

>  <Formula> (537)
C19H27NO3

>  <MolWeight> (537)
317.42258

>  <Item Name> (537)
Nateglinide (Starlix)

>  <Catalog Number> (537)
S2489

>  <Synonyms> (537)
Starlix

>  <Target> (537)
Potassium Channel

>  <Form> (537)
Free Base

>  <URL> (537)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (537)
105816-04-4

$$$$
Itraconazole.cdx
csChFnd80/10101813202D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
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 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (538)
842

>  <Formula> (538)
C35H38Cl2N8O4

>  <MolWeight> (538)
705.63342

>  <Item Name> (538)
Itraconazole (Sporanox)

>  <Catalog Number> (538)
S2476

>  <Synonyms> (538)
Sporanox

>  <Target> (538)
P450 (e.g. CYP17)

>  <Form> (538)
Free Base

>  <URL> (538)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (538)
84625-61-6

$$$$
Neostigmine bromide.cdx
csChFnd80/10101813202D

 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
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    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
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    8.4955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    0.6951    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (539)
843

>  <Formula> (539)
C12H19BrN2O2

>  <MolWeight> (539)
303.19546

>  <Item Name> (539)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (539)
S2490

>  <Synonyms> (539)
Prostigmin, Vagostigmin

>  <Target> (539)
AChR

>  <Form> (539)
Bromide

>  <URL> (539)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (539)
114-80-7

$$$$
Nitrendipine.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (540)
844

>  <Formula> (540)
C18H20N2O6

>  <MolWeight> (540)
360.3612

>  <Item Name> (540)
Nitrendipine

>  <Catalog Number> (540)
S2491

>  <Synonyms> (540)
N/A

>  <Target> (540)
Calcium Channel

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (540)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/10101813202D

 45 47  0  0  0  0  0  0  0  0999 V2000
    2.4207    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    9.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.1781    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5988    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3906    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0166    8.0306    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
  1 28  1  1  0  0  0
  3 29  1  6  0  0  0
  2 30  1  6  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
 10 37  1  0  0  0  0
 15 38  2  0  0  0  0
 26 39  1  0  0  0  0
 25 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (541)
845

>  <Formula> (541)
C31H35N2NaO11

>  <MolWeight> (541)
634.60617

>  <Item Name> (541)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (541)
S2492

>  <Synonyms> (541)
Albamycin, Cathomycin

>  <Target> (541)
Topoisomerase

>  <Form> (541)
Sodium Salt

>  <URL> (541)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (541)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/10101813202D

 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
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    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    7.2458    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (542)
846

>  <Formula> (542)
C17H20N4S

>  <MolWeight> (542)
312.4325

>  <Item Name> (542)
Olanzapine (Zyprexa)

>  <Catalog Number> (542)
S2493

>  <Synonyms> (542)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (542)
5-HT Receptor, Dopamine Receptor

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (542)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/10101813202D

 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
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    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> (543)
847

>  <Formula> (543)
C21H24ClNO3

>  <MolWeight> (543)
373.87316

>  <Item Name> (543)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (543)
S2494

>  <Synonyms> (543)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (543)
Histamine Receptor

>  <Form> (543)
Hydrochloride

>  <URL> (543)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (543)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (544)
849

>  <Formula> (544)
C13H12N2O2

>  <MolWeight> (544)
228.24658

>  <Item Name> (544)
Ozagrel

>  <Catalog Number> (544)
S2496

>  <Synonyms> (544)
OKY 046 

>  <Target> (544)
Factor Xa

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (544)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/10101813202D

 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
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    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
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   11.0268    4.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8497    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0268    6.7278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.4579    8.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243    9.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9555   10.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1597    8.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0448    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9448    6.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5448    4.3827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7224    5.2092    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    7.3224    5.2092    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
  1 18  1  1  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 16 23  1  1  0  0  0
  2 24  1  6  0  0  0
  4 25  1  6  0  0  0
 10 26  1  6  0  0  0
 11 27  1  6  0  0  0
 18 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 18  1  0  0  0  0
 18 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 22 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 23 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <Mol_ID> (545)
850

>  <Formula> (545)
C35H60Br2N2O4

>  <MolWeight> (545)
732.6699

>  <Item Name> (545)
Pancuronium dibromide

>  <Catalog Number> (545)
S2497

>  <Synonyms> (545)
N/A

>  <Target> (545)
AChR

>  <Form> (545)
di-quaternary-N bromide salt

>  <URL> (545)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (545)
15500-66-0

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/10101813202D

 29 29  0  0  0  0  0  0  0  0999 V2000
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5065    6.1886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6542    6.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5065    7.5886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2762    5.8851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    8.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1689    8.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7189    6.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8596    2.3188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1298    4.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    4.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  1  0  0  0
 22 24  1  6  0  0  0
 24 25  2  0  0  0  0
 20 26  1  6  0  0  0
M  END
>  <Mol_ID> (546)
852

>  <Formula> (546)
C20H29ClN2O4

>  <MolWeight> (546)
396.90826

>  <Item Name> (546)
Quinine hydrochloride dihydrate

>  <Catalog Number> (546)
S2502

>  <Synonyms> (546)
N/A

>  <Target> (546)
Potassium Channel

>  <Form> (546)
Hydrochloride dihydrate

>  <URL> (546)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (546)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/10101813202D

 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> (547)
853

>  <Formula> (547)
C21H23NO4S

>  <MolWeight> (547)
385.47662

>  <Item Name> (547)
Racecadotril (Acetorphan)

>  <Catalog Number> (547)
S2503

>  <Synonyms> (547)
Acetorphan

>  <Target> (547)
Opioid Receptor

>  <Form> (547)
Free Base

>  <URL> (547)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (547)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.6550    3.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9550    2.4051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8917    1.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1707    1.9341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0244    3.3264    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5675    2.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    4.2599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3789    1.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4306    3.9689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306    5.1813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1938    6.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9148    5.6523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4838    7.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8107    8.0175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    8.5199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  1  0  0  0
  5  7  1  1  0  0  0
  4  8  1  6  0  0  0
  3  9  1  6  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6 17  1  0  0  0  0
M  END
>  <Mol_ID> (548)
854

>  <Formula> (548)
C8H12N4O5

>  <MolWeight> (548)
244.20468

>  <Item Name> (548)
Ribavirin (Copegus)

>  <Catalog Number> (548)
S2504

>  <Synonyms> (548)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (548)
Antifection

>  <Form> (548)
Free Base

>  <URL> (548)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (548)
36791-04-5

$$$$
Salbutamol sulfate.cdx
csChFnd80/10101813202D

 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> (549)
856

>  <Formula> (549)
C13H23NO7S

>  <MolWeight> (549)
337.38922

>  <Item Name> (549)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (549)
S2507

>  <Synonyms> (549)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (549)
Adrenergic Receptor

>  <Form> (549)
Sulfate

>  <URL> (549)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (549)
51022-70-9

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/10101813202D

 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> (550)
857

>  <Formula> (550)
C17H22BrNO4

>  <MolWeight> (550)
384.26488

>  <Item Name> (550)
Scopolamine hydrobromide

>  <Catalog Number> (550)
S2508

>  <Synonyms> (550)
N/A

>  <Target> (550)
AChR

>  <Form> (550)
Hydrobromide

>  <URL> (550)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (550)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/10101813202D

 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
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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
  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> (551)
858

>  <Formula> (551)
C12H21ClN2O3S

>  <MolWeight> (551)
308.82474

>  <Item Name> (551)
Sotalol HCl

>  <Catalog Number> (551)
S2509

>  <Synonyms> (551)
Sotalex

>  <Target> (551)
Adrenergic Receptor

>  <Form> (551)
Hydrochloride

>  <URL> (551)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (551)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/10101813202D

 28 28  0  0  0  0  0  0  0  0999 V2000
    2.4165    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.1417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    6.2417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    4.1417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    6.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    4.2313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  2  0  0  0  0
  9 16  1  1  0  0  0
  8 17  1  1  0  0  0
  3 18  1  1  0  0  0
  2 19  1  1  0  0  0
  1 20  1  1  0  0  0
  6 21  1  6  0  0  0
  5 22  1  6  0  0  0
 13 23  1  6  0  0  0
  4 24  1  1  0  0  0
 20 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
>  <Mol_ID> (552)
859

>  <Formula> (552)
C14H26Cl2N2O7

>  <MolWeight> (552)
405.27144

>  <Item Name> (552)
Spectinomycin 2HCl

>  <Catalog Number> (552)
S2510

>  <Synonyms> (552)
Actinospectacin

>  <Target> (552)
Antifection

>  <Form> (552)
dihydrochloride

>  <URL> (552)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (552)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1438    4.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    1.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (553)
860

>  <Formula> (553)
C12H14N4O4S

>  <MolWeight> (553)
310.32896

>  <Item Name> (553)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (553)
S2511

>  <Synonyms> (553)
Sulphadoxine

>  <Target> (553)
Antifection

>  <Form> (553)
Free Base

>  <URL> (553)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (553)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/10101813202D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    3.9497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7389    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  3  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (554)
861

>  <Formula> (554)
C21H26ClN

>  <MolWeight> (554)
327.89084

>  <Item Name> (554)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (554)
S2557

>  <Synonyms> (554)
Zabel

>  <Target> (554)
Antifection

>  <Form> (554)
Hydrochloride

>  <URL> (554)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (554)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/10101813202D

 38 37  0  0  0  0  0  0  0  0999 V2000
    4.8518    4.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    3.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2767    4.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0642    5.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    2.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4849    5.5392    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6973    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    2.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    3.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1222    4.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9098    5.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1849    6.7517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    5.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    2.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    0.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    4.8368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7553    5.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7553    6.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3304    6.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    9.0320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    5.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9097    6.2368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0868    7.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    3.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5179    8.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8826    3.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3137    2.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338    3.9361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7338    2.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (555)
862

>  <Formula> (555)
C23H39ClN6O7S

>  <MolWeight> (555)
579.10976

>  <Item Name> (555)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (555)
S2515

>  <Synonyms> (555)
Levitra 

>  <Target> (555)
PDE

>  <Form> (555)
Hydrochloride trihydrate

>  <URL> (555)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (555)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/10101813202D

 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> (556)
863

>  <Formula> (556)
C20H24ClN

>  <MolWeight> (556)
313.86426

>  <Item Name> (556)
Maprotiline hydrochloride

>  <Catalog Number> (556)
S2517

>  <Synonyms> (556)
Deprilept, Ludiomil, Psymion

>  <Target> (556)
Reuptake inhibitor

>  <Form> (556)
Hydrochloride

>  <URL> (556)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (556)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/10101813202D

 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> (557)
864

>  <Formula> (557)
C14H15ClN2

>  <MolWeight> (557)
246.7353

>  <Item Name> (557)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (557)
S2519

>  <Synonyms> (557)
Naphcon, Albalon

>  <Target> (557)
Adrenergic Receptor

>  <Form> (557)
Hydrochloride

>  <URL> (557)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (557)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/10101813202D

 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> (558)
865

>  <Formula> (558)
C13H19NO9

>  <MolWeight> (558)
333.29126

>  <Item Name> (558)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (558)
S2521

>  <Synonyms> (558)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (558)
Adrenergic Receptor

>  <Form> (558)
tartrate

>  <URL> (558)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (558)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/10101813202D

 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> (559)
866

>  <Formula> (559)
C9H13NO3

>  <MolWeight> (559)
183.20442

>  <Item Name> (559)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (559)
S2522

>  <Synonyms> (559)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (559)
Adrenergic Receptor

>  <Form> (559)
Free Base

>  <URL> (559)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (559)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.3373    4.5446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5741    2.2918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7067    4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7435    5.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.0750    4.7545    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.2840    0.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2951    2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675    0.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0097    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  3  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
M  END
>  <Mol_ID> (560)
867

>  <Formula> (560)
C15H11N2NaO2

>  <MolWeight> (560)
274.24981

>  <Item Name> (560)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (560)
S2524

>  <Synonyms> (560)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (560)
Sodium Channel

>  <Form> (560)
Sodium Salt

>  <URL> (560)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (560)
630-93-3

$$$$
Methacycline hydrochloride.cdx
csChFnd80/10101813202D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    8.4871    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4770    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (561)
869

>  <Formula> (561)
C22H23ClN2O8

>  <MolWeight> (561)
478.87962

>  <Item Name> (561)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (561)
S2527

>  <Synonyms> (561)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (561)
Antifection

>  <Form> (561)
Hydrochloride 

>  <URL> (561)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (561)
3963-95-9

$$$$
Dopamine hydrochloride.cdx
csChFnd80/10101813202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.8622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (562)
871

>  <Formula> (562)
C8H12ClNO2

>  <MolWeight> (562)
189.63938

>  <Item Name> (562)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (562)
S2529

>  <Synonyms> (562)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (562)
Dopamine Receptor

>  <Form> (562)
Hydrochloride 

>  <URL> (562)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (562)
62-31-7

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/10101813202D

 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> (563)
875

>  <Formula> (563)
C17H22ClNO3

>  <MolWeight> (563)
323.81448

>  <Item Name> (563)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (563)
S2533

>  <Synonyms> (563)
DU 21220; Miolene; NSC 291565

>  <Target> (563)
Adrenergic Receptor

>  <Form> (563)
Hydrochloride

>  <URL> (563)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (563)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8350    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    6.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.2301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    8.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    8.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    9.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653   10.6111    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959   10.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.0374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.7374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.8374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2325    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.0398    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.8054    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8054    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7127    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  4 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 11 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 11  1  0  0  0  0
 23 24  1  0  0  0  0
 19 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (564)
876

>  <Formula> (564)
C18H15Cl4N3O4

>  <MolWeight> (564)
479.1414

>  <Item Name> (564)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (564)
S2534

>  <Synonyms> (564)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (564)
Antifection

>  <Form> (564)
Nitrate 

>  <URL> (564)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (564)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3285    4.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1959    6.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7489    3.6750    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4465    4.8832    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.4465    2.4668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537    3.6750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (565)
877

>  <Formula> (565)
C18H16Cl3N3O4

>  <MolWeight> (565)
444.69634

>  <Item Name> (565)
Econazole nitrate (Spectazole)

>  <Catalog Number> (565)
S2535

>  <Synonyms> (565)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (565)
Calcium Channel

>  <Form> (565)
Nitrate

>  <URL> (565)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (565)
24169-02-6

$$$$
Secnidazole.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4680    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1705    5.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7656    5.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9361    3.8980    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.9765    4.8348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2272    2.5286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0432    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (566)
879

>  <Formula> (566)
C7H11N3O3

>  <MolWeight> (566)
185.18054

>  <Item Name> (566)
Secnidazole (Flagentyl)

>  <Catalog Number> (566)
S2537

>  <Synonyms> (566)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (566)
Antifection

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (566)
3366-95-8

$$$$
untitled.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.2951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4246    6.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2122    6.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1718    5.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6991    6.7035    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  8 13  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (567)
880

>  <Formula> (567)
C19H18ClN3O5S

>  <MolWeight> (567)
435.88132

>  <Item Name> (567)
Rivaroxaban (Xarelto)

>  <Catalog Number> (567)
S3002

>  <Synonyms> (567)
N/A 

>  <Target> (567)
Factor Xa

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (567)
366789-02-8

$$$$
fty720.cdx
csChFnd80/10101813202D

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    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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> (568)
881

>  <Formula> (568)
C19H34ClNO2

>  <MolWeight> (568)
343.93176

>  <Item Name> (568)
Fingolimod (FTY720) HCl

>  <Catalog Number> (568)
S5002

>  <Synonyms> (568)
Gilenia 

>  <Target> (568)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (568)
Hydrochloride

>  <URL> (568)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/10101813202D

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    4.8497   16.1098    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (569)
882

>  <Formula> (569)
C43H68ClNO11

>  <MolWeight> (569)
810.45312

>  <Item Name> (569)
Pimecrolimus

>  <Catalog Number> (569)
S5004

>  <Synonyms> (569)
Elidel, SDZ-ASM-981

>  <Target> (569)
Others

>  <Form> (569)
Free Base

>  <URL> (569)
http://www.selleckchem.com/products/Pimecrolimus.html

>  <CAS Number> (569)
137071-32-0

$$$$
Nxy-059.cdx
csChFnd80/10101813202D

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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 15  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  2  0  0  0  0
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M  END
>  <Mol_ID> (570)
884

>  <Formula> (570)
C11H13NNa2O7S2

>  <MolWeight> (570)
381.33296

>  <Item Name> (570)
NXY-059 (Disufenton sodium)

>  <Catalog Number> (570)
S6002

>  <Synonyms> (570)
Cerovive, Disufenton Sodium

>  <Target> (570)
Others

>  <Form> (570)
Disodium salt

>  <URL> (570)
http://www.selleckchem.com/products/NXY-059.html

>  <CAS Number> (570)
168021-79-2

$$$$
untitled.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (571)
885

>  <Formula> (571)
C15H9FN2O3

>  <MolWeight> (571)
284.2419632

>  <Item Name> (571)
PTC124 (Ataluren)

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S6003

>  <Synonyms> (571)
N/A 

>  <Target> (571)
CFTR

>  <Form> (571)
Free Base

>  <URL> (571)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (571)
775304-57-9

$$$$
untitled.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (572)
886

>  <Formula> (572)
C19H12F4N4O2

>  <MolWeight> (572)
404.3177928

>  <Item Name> (572)
VX-702

>  <Catalog Number> (572)
S6005

>  <Synonyms> (572)
N/A

>  <Target> (572)
p38 MAPK 

>  <Form> (572)
Free Base

>  <URL> (572)
http://www.selleckchem.com/products/VX-702.html

>  <CAS Number> (572)
745833-23-2

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (573)
887

>  <Formula> (573)
C5H10N2O3

>  <MolWeight> (573)
146.1445

>  <Item Name> (573)
L-Glutamine

>  <Catalog Number> (573)
S1749

>  <Synonyms> (573)
N/A

>  <Target> (573)
Others

>  <Form> (573)
Free Base

>  <URL> (573)
http://www.selleckchem.com/products/Glutamine.html

>  <CAS Number> (573)
56-85-9

$$$$
CP-690550 citrate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (574)
888

>  <Formula> (574)
C22H28N6O8

>  <MolWeight> (574)
504.49312

>  <Item Name> (574)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (574)
S5001

>  <Synonyms> (574)
N/A 

>  <Target> (574)
JAK

>  <Form> (574)
Citrate

>  <URL> (574)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (574)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/10101813202D

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www.selleckchem.com/products/Toremifene-Citrate(Fareston).html

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89778-27-8

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PI3K 

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Free Base

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http://www.selleckchem.com/products/CAL-101.html

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870281-82-6

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C34H50N8O3

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S2235

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N/A 

>  <Target> (577)
PLK 

>  <Form> (577)
Free Base

>  <URL> (577)
http://www.selleckchem.com/products/BI6727-Volasertib.html

>  <CAS Number> (577)
755038-65-4

$$$$
Telatinib (BAY 57-9352).cdx
csChFnd80/10101813202D

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>  <Item Name> (578)
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N/A 

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VEGFR, PDGFR, c-Kit

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Free Base

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http://www.selleckchem.com/products/Telatinib-BAY-57-9352.html

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332012-40-5

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (579)
897

>  <Formula> (579)
C17H20ClF2N3O3

>  <MolWeight> (579)
387.8088064

>  <Item Name> (579)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (579)
S2539

>  <Synonyms> (579)
Maxaquin, Okacyn, Uniquin

>  <Target> (579)
Antifection

>  <Form> (579)
Hydrochloride 

>  <URL> (579)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (579)
98079-52-8

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/10101813202D

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    4.6481    4.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (580)
898

>  <Formula> (580)
C19H24Cl2N2

>  <MolWeight> (580)
351.31326

>  <Item Name> (580)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (580)
S2541

>  <Synonyms> (580)
Anafranil

>  <Target> (580)
5-HT Receptor

>  <Form> (580)
Hydrochloride

>  <URL> (580)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (580)
17321-77-6

$$$$
Acetanilide.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (581)
901

>  <Formula> (581)
C8H9NO

>  <MolWeight> (581)
135.16316

>  <Item Name> (581)
Acetanilide (Antifebrin)

>  <Catalog Number> (581)
S2538

>  <Synonyms> (581)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (581)
Others

>  <Form> (581)
Free Base

>  <URL> (581)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (581)
103-84-4

$$$$
CK-1827452.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (582)
906

>  <Formula> (582)
C20H24FN5O3

>  <MolWeight> (582)
401.4346632

>  <Item Name> (582)
Omecamtiv mecarbil (CK-1827452)

>  <Catalog Number> (582)
S2623

>  <Synonyms> (582)
CK-1827452, CK1827452 

>  <Target> (582)
ATPase

>  <Form> (582)
Free Base

>  <URL> (582)
http://www.selleckchem.com/products/Omecamtiv-mecarbil-CK-1827452.html

>  <CAS Number> (582)
873697-71-3

$$$$
OSI-027.cdx
csChFnd80/10101813202D

 30 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.1861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (583)
908

>  <Formula> (583)
C21H22N6O3

>  <MolWeight> (583)
406.43778

>  <Item Name> (583)
OSI-027

>  <Catalog Number> (583)
S2624

>  <Synonyms> (583)
N/A 

>  <Target> (583)
mTOR

>  <Form> (583)
Free Base

>  <URL> (583)
http://www.selleckchem.com/products/OSI027.html

>  <CAS Number> (583)
936890-98-1

$$$$
Trospium chloride.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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   10.6293    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2293    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2241    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.3578   10.4164    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
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  5  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  1  0  0  0
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 12 13  1  0  0  0  0
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 31 32  1  0  0  0  0
 32  6  1  0  0  0  0
M  END
>  <Mol_ID> (584)
910

>  <Formula> (584)
C25H30ClNO3

>  <MolWeight> (584)
427.9636

>  <Item Name> (584)
Trospium chloride (Sanctura)

>  <Catalog Number> (584)
S2549

>  <Synonyms> (584)
Sanctura

>  <Target> (584)
AChR

>  <Form> (584)
quaternary-N chloride salt

>  <URL> (584)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (584)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/10101813202D

 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
    8.5039    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6242    5.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0291    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7291    6.8246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7291    4.3998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0291    3.1873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1291    4.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7291    1.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6291    3.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0291    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1291    1.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 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 29  1  0  0  0  0
 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> (585)
911

>  <Formula> (585)
C26H37NO7

>  <MolWeight> (585)
475.57448

>  <Item Name> (585)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (585)
S2550

>  <Synonyms> (585)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (585)
AChR

>  <Form> (585)
Tartrate 

>  <URL> (585)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (585)
124937-52-6

$$$$
Clomifene citrate.cdx
csChFnd80/10101813202D

 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
    0.0000    4.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
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 18 22  1  0  0  0  0
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 25 26  1  0  0  0  0
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 25 28  1  0  0  0  0
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 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> (586)
913

>  <Formula> (586)
C32H36ClNO8

>  <MolWeight> (586)
598.08314

>  <Item Name> (586)
Clomifene citrate (Serophene)

>  <Catalog Number> (586)
S2561

>  <Synonyms> (586)
Clomid, Serophene, Milophene

>  <Target> (586)
Estrogen/progestogen Receptor

>  <Form> (586)
Citrate

>  <URL> (586)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (586)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.9743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9743    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    3.9667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3743    5.3667    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7058    3.5340    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5287    4.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058    5.7993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7619    6.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5536    3.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    6.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    7.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2575   10.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0451    9.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8368   10.2749    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9878    2.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    5.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7411    3.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1369    2.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    1.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5015    1.9171    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.0469   10.3832    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.3743    6.7667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5910    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  1  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 22 17  1  0  0  0  0
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  6 25  1  0  0  0  0
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 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  4 31  1  6  0  0  0
 17 13  1  0  0  0  0
M  END
>  <Mol_ID> (587)
914

>  <Formula> (587)
C19H19ClN3NaO6S

>  <MolWeight> (587)
475.87843

>  <Item Name> (587)
Cloxacillin sodium

>  <Catalog Number> (587)
S2564

>  <Synonyms> (587)
Cloxapen, Cloxacap, Orbenin

>  <Target> (587)
Antifection

>  <Form> (587)
Sodium Salt & hydrate

>  <URL> (587)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (587)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/10101813202D

  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> (588)
915

>  <Formula> (588)
C6H5NO2

>  <MolWeight> (588)
123.1094

>  <Item Name> (588)
Niacin (Nicotinic acid)

>  <Catalog Number> (588)
S1744 

>  <Synonyms> (588)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (588)
Vitamin

>  <Form> (588)
Free Base

>  <URL> (588)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (588)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    5.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6294    4.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1270    6.8297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 14 19  2  0  0  0  0
 17 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
  5 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
 17 32  1  6  0  0  0
M  END
>  <Mol_ID> (589)
916

>  <Formula> (589)
C23H30O6

>  <MolWeight> (589)
402.4807

>  <Item Name> (589)
Cortisone acetate (Cortone)

>  <Catalog Number> (589)
S2559

>  <Synonyms> (589)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (589)
Glucocorticoid Receptor

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (589)
50-04-4

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    2.7854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (590)
917

>  <Formula> (590)
C8H9ClN4

>  <MolWeight> (590)
196.63686

>  <Item Name> (590)
Hydralazine hydrochloride

>  <Catalog Number> (590)
S2562

>  <Synonyms> (590)
Apresoline

>  <Target> (590)
Others

>  <Form> (590)
Hydrochloride

>  <URL> (590)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

>  <CAS Number> (590)
304-20-1

$$$$
BKM-120.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0538    9.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  8 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  8  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 24 19  1  0  0  0  0
 18 25  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 18  1  0  0  0  0
M  END
>  <Mol_ID> (591)
920

>  <Formula> (591)
C18H21F3N6O2

>  <MolWeight> (591)
410.3935496

>  <Item Name> (591)
BKM120 (NVP-BKM120)

>  <Catalog Number> (591)
S2247 

>  <Synonyms> (591)
N/A 

>  <Target> (591)
PI3K

>  <Form> (591)
Free Base

>  <URL> (591)
http://www.selleckchem.com/products/BKM-120.html

>  <CAS Number> (591)
944396-07-0

$$$$
CX-4945.cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    9.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    9.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  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
 10 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
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 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 13 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (592)
922

>  <Formula> (592)
C19H12ClN3O2

>  <MolWeight> (592)
349.77048

>  <Item Name> (592)
cx-4945 (Silmitasertib)

>  <Catalog Number> (592)
S2248

>  <Synonyms> (592)
N/A 

>  <Target> (592)
PKC

>  <Form> (592)
Free Base

>  <URL> (592)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (592)
1009820-21-6

$$$$
LY2157299.cdx
csChFnd80/10101813202D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9936    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9936    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8262    7.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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S1115 

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MK0822

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Cathepsin K

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Free Base

>  <URL> (598)
http://www.selleckchem.com/products/Odanacatib-(MK0822).html

>  <CAS Number> (598)
603139-19-1

$$$$
BMS-754807.cdx
csChFnd80/10101813202D

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IGF-1R

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Free Base

>  <URL> (599)
http://www.selleckchem.com/products/BMS-754807.html

>  <CAS Number> (599)
1001350-96-4

$$$$
Apatinib.cdx
csChFnd80/10101813202D

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>  <MolWeight> (600)
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>  <Item Name> (600)
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VEGFR

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mesylate

>  <URL> (600)
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>  <CAS Number> (600)
811803-05-1

$$$$
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    8.5319   12.0031    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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 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
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  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
  7 25  1  6  0  0  0
 11 26  1  6  0  0  0
 17 27  1  6  0  0  0
 16 28  1  6  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (601)
966

>  <Formula> (601)
C26H32F2O7

>  <MolWeight> (601)
494.5248864

>  <Item Name> (601)
Fluocinonide (Vanos)

>  <Catalog Number> (601)
S2608

>  <Synonyms> (601)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (601)
Glucocorticoid Receptor

>  <Form> (601)
Free Base

>  <URL> (601)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (601)
356-12-7

$$$$
Curcumin.cdx
csChFnd80/10101813202D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4158    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  2  0  0  0  0
 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 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
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M  END
>  <Mol_ID> (602)
968

>  <Formula> (602)
C21H20O6

>  <MolWeight> (602)
368.3799

>  <Item Name> (602)
Curcumin

>  <Catalog Number> (602)
S1848

>  <Synonyms> (602)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (602)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (602)
458-37-7

$$$$
LY2603618.cdx
csChFnd80/10101813202D

 27 29  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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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
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 16 11  1  0  0  0  0
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 17 18  1  0  0  0  0
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 26 20  1  0  0  0  0
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M  END
>  <Mol_ID> (603)
970

>  <Formula> (603)
C18H22BrN5O3

>  <MolWeight> (603)
436.30298

>  <Item Name> (603)
LY2603618 (IC-83)

>  <Catalog Number> (603)
S2626

>  <Synonyms> (603)
N/A 

>  <Target> (603)
Chk

>  <Form> (603)
Free Base

>  <URL> (603)
http://www.selleckchem.com/products/LY2603618-IC-83.html

>  <CAS Number> (603)
911222-45-2

$$$$
Neomycin sulfate.cdx
csChFnd80/10101813202D

 47 49  0  0  0  0  0  0  0  0999 V2000
    1.2082   11.0639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    9.6639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    8.9639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    9.6639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331   11.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (604)
971

>  <Formula> (604)
C23H48N6O17S

>  <MolWeight> (604)
712.72222

>  <Item Name> (604)
Neomycin sulfate

>  <Catalog Number> (604)
S2568 

>  <Synonyms> (604)
N/A

>  <Target> (604)
Antifection

>  <Form> (604)
Sulfate

>  <URL> (604)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (604)
1405-10-3

$$$$
Prednisolone acetate.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (605)
972

>  <Formula> (605)
C23H30O6

>  <MolWeight> (605)
402.4807

>  <Item Name> (605)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (605)
S2570

>  <Synonyms> (605)
Omnipred

>  <Target> (605)
Glucocorticoid Receptor

>  <Form> (605)
Free Base

>  <URL> (605)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (605)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (606)
973

>  <Formula> (606)
C6H8O4

>  <MolWeight> (606)
144.12532

>  <Item Name> (606)
Dimethyl Fumarate

>  <Catalog Number> (606)
S2586 

>  <Synonyms> (606)
N/A

>  <Target> (606)
Others

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (606)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/10101813202D

 34 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (607)
974

>  <Formula> (607)
C28H36O6

>  <MolWeight> (607)
468.58184

>  <Item Name> (607)
Clinofibrate

>  <Catalog Number> (607)
S2664

>  <Synonyms> (607)
Lipoclin

>  <Target> (607)
RAAS

>  <Form> (607)
Free Base

>  <URL> (607)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (607)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (608)
975

>  <Formula> (608)
C26H23FIN5O4

>  <MolWeight> (608)
615.3947932

>  <Item Name> (608)
GSK1120212 (Trametinib)

>  <Catalog Number> (608)
S2673

>  <Synonyms> (608)
GSK212 

>  <Target> (608)
MEK 

>  <Form> (608)
Free Base

>  <URL> (608)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

>  <CAS Number> (608)
871700-17-3

$$$$
SNX5422.cdx
csChFnd80/10101813202D

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N/A 

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HSP

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Free Base

>  <URL> (609)
http://www.selleckchem.com/products/pf-04929113.html

>  <CAS Number> (609)
908115-27-5

$$$$
ADL5859.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (610)
979

>  <Formula> (610)
C24H29ClN2O3

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428.95166

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ADL5859 HCl

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S1139

>  <Synonyms> (610)
N/A 

>  <Target> (610)
Opioid Receptor

>  <Form> (610)
Hydrochloride

>  <URL> (610)
http://www.selleckchem.com/products/ADL-5859.html

>  <CAS Number> (610)
850173-95-4

$$$$
Ciprofibrate.cdx
csChFnd80/10101813202D

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C13H14Cl2O3

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Ciprofibrate

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S2665

>  <Synonyms> (611)
N/A

>  <Target> (611)
PPAR

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (611)
52214-84-3

$$$$
Amoxicillin sodium.cdx
csChFnd80/10101813202D

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983

>  <Formula> (612)
C16H18N3NaO5S

>  <MolWeight> (612)
387.38599

>  <Item Name> (612)
Amoxicillin sodium (Amox)

>  <Catalog Number> (612)
S2565

>  <Synonyms> (612)
Amoxycillin 

>  <Target> (612)
Antifection

>  <Form> (612)
Sodium Salt

>  <URL> (612)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (612)
34642-77-8

$$$$
KX2-391.cdx
csChFnd80/10101813202D

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C26H29N3O3

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KX2-391

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>  <Target> (613)
Src

>  <Form> (613)
Free Base

>  <URL> (613)
http://www.selleckchem.com/products/kx2-391.html

>  <CAS Number> (613)
897016-82-9

$$$$
GSK1070916.cdx
csChFnd80/10101813202D

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Opioid Receptor

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244218-51-7

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 13  8  1  0  0  0  0
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 18 19  1  0  0  0  0
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 23 18  1  0  0  0  0
 15 24  1  0  0  0  0
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 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
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M  END
>  <Mol_ID> (617)
999

>  <Formula> (617)
C23H30N8O3S

>  <MolWeight> (617)
498.6011

>  <Item Name> (617)
Apitolisib (GDC-0980, RG7422)

>  <Catalog Number> (617)
S2696 

>  <Synonyms> (617)
N/A 

>  <Target> (617)
mTOR, PI3K

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/GDC-0980-RG7422.html

>  <CAS Number> (617)
1032754-93-0

$$$$
Nepicastat hydrochloride.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
  9 13  1  1  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  1  0  0  0  0
 17 13  1  0  0  0  0
 17 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (618)
1000

>  <Formula> (618)
C14H16ClF2N3S

>  <MolWeight> (618)
331.8117464

>  <Item Name> (618)
Nepicastat hydrochloride

>  <Catalog Number> (618)
S2695

>  <Synonyms> (618)
SYN117

>  <Target> (618)
Hydroxylase

>  <Form> (618)
Hydrochloride

>  <URL> (618)
http://www.selleckchem.com/products/nepicastat-hydrochloride.html

>  <CAS Number> (618)
170151-24-3

$$$$
Brompheniramine maleate.cdx
csChFnd80/10101813202D

 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
    4.8455    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5289    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9496    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7414    0.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  4  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  4  1  0  0  0  0
  1 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  1  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (619)
1002

>  <Formula> (619)
C20H23BrN2O4

>  <MolWeight> (619)
435.31162

>  <Item Name> (619)
Brompheniramine hydrogen maleate

>  <Catalog Number> (619)
S2585

>  <Synonyms> (619)
N/A

>  <Target> (619)
Histamine Receptor

>  <Form> (619)
Maleate

>  <URL> (619)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (619)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.0404    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    5.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6735    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8817    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.2982    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7146    2.1000    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
    7.0900    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (620)
1003

>  <Formula> (620)
C24H26N2O4

>  <MolWeight> (620)
406.47424

>  <Item Name> (620)
Carvedilol

>  <Catalog Number> (620)
S1831

>  <Synonyms> (620)
Coreg, Dilatrend

>  <Target> (620)
Adrenergic Receptor

>  <Form> (620)
Free Base

>  <URL> (620)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (620)
72956-09-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/10101813202D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.3561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2831    6.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (621)
1004

>  <Formula> (621)
C6H13Cl2N7O3

>  <MolWeight> (621)
302.11852

>  <Item Name> (621)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (621)
S2560 

>  <Synonyms> (621)
MK-870

>  <Target> (621)
Sodium Channel

>  <Form> (621)
hydrochloride & dihydrate

>  <URL> (621)
http://www.selleckchem.com/products/amilorida.html

>  <CAS Number> (621)
17440-83-4

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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   10.1347    3.0188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  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> (622)
1005

>  <Formula> (622)
C9H14ClNO2

>  <MolWeight> (622)
203.66596

>  <Item Name> (622)
Phenylephrine hydrochloride

>  <Catalog Number> (622)
S2569

>  <Synonyms> (622)
N/A

>  <Target> (622)
Adrenergic Receptor

>  <Form> (622)
Hydrochloride

>  <URL> (622)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (622)
61-76-7

$$$$

csChFnd80/10101813202D

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>  <Mol_ID> (623)
1009

>  <Formula> (623)
C16H25ClN2O

>  <MolWeight> (623)
296.8355

>  <Item Name> (623)
Ropinirole HCl

>  <Catalog Number> (623)
S3189

>  <Synonyms> (623)
N/A 

>  <Target> (623)
Dopamine Receptor

>  <Form> (623)
HCl

>  <URL> (623)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (623)
91374-20-8

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (624)
1013

>  <Formula> (624)
C21H21Cl2NO5

>  <MolWeight> (624)
438.30114

>  <Item Name> (624)
Flavopiridol (Alvocidib) HCl

>  <Catalog Number> (624)
S2679

>  <Synonyms> (624)
N/A

>  <Target> (624)
CDK

>  <Form> (624)
Hydrochloride

>  <URL> (624)
http://www.selleckchem.com/products/flavopiridol-hydrochloride.html

>  <CAS Number> (624)
131740-09-5

$$$$
PH797804.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (625)
1014

>  <Formula> (625)
C22H19BrF2N2O3

>  <MolWeight> (625)
477.2986664

>  <Item Name> (625)
PH-797804

>  <Catalog Number> (625)
S2726

>  <Synonyms> (625)
N/A

>  <Target> (625)
p38 MAPK

>  <Form> (625)
Free Base

>  <URL> (625)
http://www.selleckchem.com/products/ph-797804.html

>  <CAS Number> (625)
586379-66-0

$$$$
PF299804.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (626)
1015

>  <Formula> (626)
C24H25ClFN5O2

>  <MolWeight> (626)
469.9390032

>  <Item Name> (626)
Dacomitinib (PF299804, PF-00299804)

>  <Catalog Number> (626)
S2727

>  <Synonyms> (626)
N/A

>  <Target> (626)
EGFR

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/pf299804.html

>  <CAS Number> (626)
1110813-31-4

$$$$
INK 128.cdx
csChFnd80/10101813202D

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mTOR 

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http://www.selleckchem.com/products/ink128.html

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1224844-38-5

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DPP-4

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Free Base

>  <URL> (628)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

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668270-12-0

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SCH727965.cdx
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CDK

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http://www.selleckchem.com/products/dinaciclib-sch727965.html

>  <CAS Number> (629)
779353-01-4

$$$$
CP868569.cdx
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PDGFR

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670220-88-9

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Erdosteine.cdx
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Free Base

>  <URL> (631)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (631)
84611-23-4 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (632)
1024

>  <Formula> (632)
C29H30N6O6

>  <MolWeight> (632)
558.5851

>  <Item Name> (632)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (632)
S1604

>  <Synonyms> (632)
Olmetec 

>  <Target> (632)
RAAS

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (632)
144689-63-4

$$$$
PF-04691502.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (633)
1029

>  <Formula> (633)
C22H27N5O4

>  <MolWeight> (633)
425.48088

>  <Item Name> (633)
PF-04691502

>  <Catalog Number> (633)
S2743

>  <Synonyms> (633)
N/A

>  <Target> (633)
mTOR, PI3K, Akt

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/pf-04691502.html

>  <CAS Number> (633)
1013101-36-4 

$$$$
Adenine hydrochloride.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (634)
1031

>  <Formula> (634)
C5H6ClN5

>  <MolWeight> (634)
171.58764

>  <Item Name> (634)
Adenine hydrochloride

>  <Catalog Number> (634)
S1983

>  <Synonyms> (634)
N/A

>  <Target> (634)
DNA/RNA Synthesis

>  <Form> (634)
Hydrochloride

>  <URL> (634)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (634)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/10101813202D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (635)
1034

>  <Formula> (635)
C28H32ClN3O6

>  <MolWeight> (635)
542.02318

>  <Item Name> (635)
Benidipine hydrochloride

>  <Catalog Number> (635)
S2017

>  <Synonyms> (635)
N/A

>  <Target> (635)
calcium channel

>  <Form> (635)
Hydrochloride

>  <URL> (635)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (635)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (636)
1035

>  <Formula> (636)
C8H8Cl3N3O4S2

>  <MolWeight> (636)
380.65582

>  <Item Name> (636)
Clorsulon

>  <Catalog Number> (636)
S2613 

>  <Synonyms> (636)
N/A

>  <Target> (636)
Antifection

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (636)
60200-06-8

$$$$
Fluticasone propionate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (637)
1037

>  <Formula> (637)
C25H31F3O5S

>  <MolWeight> (637)
500.5708496

>  <Item Name> (637)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (637)
S1992

>  <Synonyms> (637)
N/A 

>  <Target> (637)
Glucocorticoid Receptor

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (637)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (638)
1038

>  <Formula> (638)
C42H52N4O12

>  <MolWeight> (638)
804.88188

>  <Item Name> (638)
Formoterol hemifumarate

>  <Catalog Number> (638)
S2020

>  <Synonyms> (638)
N/A

>  <Target> (638)
Adrenergic Receptor

>  <Form> (638)
Hemifumarate

>  <URL> (638)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (638)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/10101813202D

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 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (639)
1039

>  <Formula> (639)
C23H23NO5S

>  <MolWeight> (639)
425.49742

>  <Item Name> (639)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (639)
S2024

>  <Synonyms> (639)
N/A 

>  <Target> (639)
Histamine Receptor

>  <Form> (639)
Fumarate 

>  <URL> (639)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (639)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/10101813202D

 33 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (640)
1040

>  <Formula> (640)
C26H33NO6

>  <MolWeight> (640)
455.54332

>  <Item Name> (640)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (640)
S1994

>  <Synonyms> (640)
Lacipil, Motens

>  <Target> (640)
Calcium Channel 

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (640)
103890-78-4

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (641)
1041

>  <Formula> (641)
C25H29Cl3N2

>  <MolWeight> (641)
463.87016

>  <Item Name> (641)
Meclizine dihydrochloride

>  <Catalog Number> (641)
S1986 

>  <Synonyms> (641)
N/A

>  <Target> (641)
Others

>  <Form> (641)
Dihydrochloride

>  <URL> (641)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (641)
1104-22-9

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/10101813202D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  3  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  5  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (642)
1042

>  <Formula> (642)
C17H19N3

>  <MolWeight> (642)
265.35286

>  <Item Name> (642)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (642)
S2016

>  <Synonyms> (642)
N/A 

>  <Target> (642)
5-HT Receptor

>  <Form> (642)
Free Base

>  <URL> (642)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (642)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/10101813202D

 37 41  0  0  0  0  0  0  0  0999 V2000
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  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
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 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (643)
1043

>  <Formula> (643)
C27H30Cl2O6

>  <MolWeight> (643)
521.4295

>  <Item Name> (643)
Mometasone furoate

>  <Catalog Number> (643)
S1987

>  <Synonyms> (643)
N/A

>  <Target> (643)
Glucocorticoid Receptor

>  <Form> (643)
Furoate

>  <URL> (643)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (643)
83919-23-7

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10101813202D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.2829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.5829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1487    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (644)
1045

>  <Formula> (644)
C12H20ClN3O

>  <MolWeight> (644)
257.7597

>  <Item Name> (644)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (644)
S1995

>  <Synonyms> (644)
N/A 

>  <Target> (644)
DNA/RNA

>  <Form> (644)
Hydrochloride

>  <URL> (644)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (644)
366-70-1

$$$$
Pidotimod.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.5487    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3119    2.2528    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6030    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    4.6122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9553    3.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4617    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  4  6  1  6  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12  9  1  6  0  0  0
  3  9  1  0  0  0  0
M  END
>  <Mol_ID> (645)
1046

>  <Formula> (645)
C9H12N2O4S

>  <MolWeight> (645)
244.26758

>  <Item Name> (645)
Pidotimod

>  <Catalog Number> (645)
S3106

>  <Synonyms> (645)
N/A 

>  <Target> (645)
Others

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (645)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.8000    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.6461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9275    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
  3  9  1  0  0  0  0
  5 11  1  0  0  0  0
  4 12  1  0  0  0  0
M  END
>  <Mol_ID> (646)
1047

>  <Formula> (646)
C8H12ClNO3

>  <MolWeight> (646)
205.63878

>  <Item Name> (646)
Pyridoxine hydrochloride

>  <Catalog Number> (646)
S3113

>  <Synonyms> (646)
N/A 

>  <Target> (646)
Vitamin

>  <Form> (646)
Hydrochloride

>  <URL> (646)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (646)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/10101813202D

 20 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    3.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    3.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.5098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7758    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 12 19  2  0  0  0  0
M  END
>  <Mol_ID> (647)
1048

>  <Formula> (647)
C15H25ClN2O2

>  <MolWeight> (647)
300.8242

>  <Item Name> (647)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (647)
S2573 

>  <Synonyms> (647)
N/A 

>  <Target> (647)
Calcium Channel

>  <Form> (647)
Hydrochloride 

>  <URL> (647)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (647)
136-47-0

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    4.8125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.5451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
>  <Mol_ID> (648)
1049

>  <Formula> (648)
C14H15Cl2NS

>  <MolWeight> (648)
300.2466

>  <Item Name> (648)
Ticlopidine hydrochloride

>  <Catalog Number> (648)
S1984

>  <Synonyms> (648)
N/A

>  <Target> (648)
P2 Receptor

>  <Form> (648)
Hydrochloride

>  <URL> (648)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (648)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.5268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    1.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.9341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1698    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    2.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066    3.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0372    3.3264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    2.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2066    3.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    4.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4599    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2181    0.8817    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 18 26  2  0  0  0  0
M  END
>  <Mol_ID> (649)
1050

>  <Formula> (649)
C19H23Cl2N5O

>  <MolWeight> (649)
408.32482

>  <Item Name> (649)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (649)
S2582

>  <Synonyms> (649)
N/A 

>  <Target> (649)
5-HT Receptor

>  <Form> (649)
Hydrochloride

>  <URL> (649)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (649)
25332-39-2 

$$$$
Urapidil hydrochloride.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.6983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    0.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.2007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    2.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    3.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  9  2  0  0  0  0
  1 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (650)
1051

>  <Formula> (650)
C20H30ClN5O3

>  <MolWeight> (650)
423.9369

>  <Item Name> (650)
Urapidil hydrochloride

>  <Catalog Number> (650)
S2025

>  <Synonyms> (650)
N/A

>  <Target> (650)
5-HT Receptor

>  <Form> (650)
Hydrochloride

>  <URL> (650)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (650)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8329    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4122    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5893    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    3.8182    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8122    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9049    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6049    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 10 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (651)
1052

>  <Formula> (651)
C12H15N3O3S

>  <MolWeight> (651)
281.3308

>  <Item Name> (651)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (651)
S1836

>  <Synonyms> (651)
N/A 

>  <Target> (651)
Microtubule Associated

>  <Form> (651)
Free Base

>  <URL> (651)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (651)
54029-12-8

$$$$
Aspartame.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 13 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (652)
1054

>  <Formula> (652)
C14H18N2O5

>  <MolWeight> (652)
294.30312

>  <Item Name> (652)
Aspartame

>  <Catalog Number> (652)
S2036

>  <Synonyms> (652)
Nutrasweet

>  <Target> (652)
Others

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (652)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/10101813202D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7657    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    8.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331    8.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    7.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  8 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  8  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (653)
1055

>  <Formula> (653)
C22H18N2

>  <MolWeight> (653)
310.39172

>  <Item Name> (653)
Bifonazole

>  <Catalog Number> (653)
S1854

>  <Synonyms> (653)
N/A

>  <Target> (653)
Antifection

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (653)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9707    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0707    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    7.7707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    3.2873    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    5.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    7.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.8659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3740    1.2082    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0716    2.4165    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0716    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  0  0  0  0
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 11  1  0  0  0  0
 15 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 15  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (654)
1056

>  <Formula> (654)
C19H18Cl3N3O3S

>  <MolWeight> (654)
474.78852

>  <Item Name> (654)
Butoconazole nitrate

>  <Catalog Number> (654)
S1833

>  <Synonyms> (654)
N/A

>  <Target> (654)
Antifection

>  <Form> (654)
Nitrate

>  <URL> (654)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (654)
64872-77-1

$$$$
Disodium Cromoglycate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (655)
1057

>  <Formula> (655)
C23H14Na2O11

>  <MolWeight> (655)
512.3302

>  <Item Name> (655)
Disodium Cromoglycate

>  <Catalog Number> (655)
S1911

>  <Synonyms> (655)
Gynazole

>  <Target> (655)
Calcium Channel

>  <Form> (655)
Disodium Salt

>  <URL> (655)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (655)
15826-37-6

$$$$
Epalrestat.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (656)
1058

>  <Formula> (656)
C15H13NO3S2

>  <MolWeight> (656)
319.39862

>  <Item Name> (656)
Epalrestat

>  <Catalog Number> (656)
S2035 

>  <Synonyms> (656)
N/A

>  <Target> (656)
Others

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (656)
82159-09-9

$$$$
Ganciclovir.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (657)
1060

>  <Formula> (657)
C9H13N5O4

>  <MolWeight> (657)
255.23062

>  <Item Name> (657)
Ganciclovir

>  <Catalog Number> (657)
S1878

>  <Synonyms> (657)
Cytovene

>  <Target> (657)
Antifection

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (657)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 10  1  1  0  0  0  0
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 15  3  1  0  0  0  0
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 21  5  2  0  0  0  0
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M  END
>  <Mol_ID> (658)
1062

>  <Formula> (658)
C18H23N3O4S

>  <MolWeight> (658)
377.45792

>  <Item Name> (658)
Phentolamine Mesylate 

>  <Catalog Number> (658)
S2038

>  <Synonyms> (658)
Regitine

>  <Target> (658)
adrenergic receptor

>  <Form> (658)
Mesylate 

>  <URL> (658)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (658)
65-28-1

$$$$
Tranexamic acid.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
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  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (659)
1065

>  <Formula> (659)
C8H15NO2

>  <MolWeight> (659)
157.2102

>  <Item Name> (659)
Tranexamic acid (Transamin)

>  <Catalog Number> (659)
S1875

>  <Synonyms> (659)
Cyklokapron 

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (659)
1197-18-8

$$$$
Uridine.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8440    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    1.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  2  0  0  0  0
  9  2  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (660)
1066

>  <Formula> (660)
C9H12N2O6

>  <MolWeight> (660)
244.20138

>  <Item Name> (660)
Uridine

>  <Catalog Number> (660)
S2029

>  <Synonyms> (660)
N/A

>  <Target> (660)
DNA/RNA Synthesis

>  <Form> (660)
Free Base

>  <URL> (660)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (660)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/10101813202D

 27 26  0  0  0  0  0  0  0  0999 V2000
    7.0393    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0393    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    0.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4642    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2517    2.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6724    2.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    2.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0889    2.8700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.0889    4.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2971    4.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3013    2.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    2.8700    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7262    2.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5137    4.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9344    2.8676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7262    0.7749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2134    2.2982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.1502    3.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4502    4.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0807    4.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5034    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4666    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8303    0.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1920    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7921    2.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 14 13  1  0  0  0  0
 19 23  1  1  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (661)
1067

>  <Formula> (661)
C18H28N2O7

>  <MolWeight> (661)
384.42412

>  <Item Name> (661)
Enalaprilat dihydrate

>  <Catalog Number> (661)
S1657

>  <Synonyms> (661)
N/A

>  <Target> (661)
RAAS

>  <Form> (661)
Dihydrate

>  <URL> (661)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (661)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/10101813202D

 45 49  0  0  0  0  0  0  0  0999 V2000
    5.8404   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404   10.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    9.6324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653   10.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2653   11.7324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529   12.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6653   10.3324    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6653   11.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322   12.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529   13.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611   14.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446   14.5251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   11.7324    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157   12.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   13.8223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   14.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.9009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368   11.8605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467   10.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6518   12.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6518    9.3459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994    9.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3605   11.0545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9859    8.7204    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3335    9.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6248    7.3728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6114    6.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2503    5.0387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9590    6.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980    4.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5356    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5256    2.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8779    2.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2402    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3235    8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6758    8.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0381    9.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0482   10.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6959   10.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3857   10.1673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    5.6629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1880    2.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1645    0.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    8.9324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  1  9  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  2  0  0  0  0
  7 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 28  1  0  0  0  0
 25 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 25  1  0  0  0  0
 37 40  1  0  0  0  0
 30 41  2  0  0  0  0
 31 42  2  0  0  0  0
 32 43  1  0  0  0  0
 43 44  1  0  0  0  0
  4 45  1  6  0  0  0
M  END
>  <Mol_ID> (662)
1068

>  <Formula> (662)
C25H27N9O8S2

>  <MolWeight> (662)
645.66738

>  <Item Name> (662)
Cefoperazone (Cefobid)

>  <Catalog Number> (662)
S1611

>  <Synonyms> (662)
N/A 

>  <Target> (662)
Antifection

>  <Form> (662)
Free Base

>  <URL> (662)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (662)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    6.6139    8.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    6.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    6.1728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7465    6.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2139    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0139    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    6.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8643    7.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0734    6.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1101    5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4370    6.1015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4738    5.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8007    5.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8374    4.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0907    6.9638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8201    4.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    6.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    5.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    3.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    3.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087    4.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8633    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 17 23  2  0  0  0  0
 13 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 13  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (663)
1069

>  <Formula> (663)
C21H18ClNO6

>  <MolWeight> (663)
415.82372

>  <Item Name> (663)
Acemetacin (Emflex)

>  <Catalog Number> (663)
S2602

>  <Synonyms> (663)
N/A 

>  <Target> (663)
COX

>  <Form> (663)
Free Base

>  <URL> (663)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (663)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/10101813202D

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6458    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4291    4.2098    0.0000 C   0  0  1  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
    0.0000    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    7.7146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5619    8.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5619    9.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (664)
1070

>  <Formula> (664)
C33H47NO13

>  <MolWeight> (664)
665.72518

>  <Item Name> (664)
Natamycin

>  <Catalog Number> (664)
S1517

>  <Synonyms> (664)
Pimaricin

>  <Target> (664)
Antifection

>  <Form> (664)
Free Base

>  <URL> (664)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (664)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/10101813202D

 67 69  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.7879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 44 24  1  0  0  0  0
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M  END
>  <Mol_ID> (665)
1071

>  <Formula> (665)
C47H75NO17

>  <MolWeight> (665)
926.0949

>  <Item Name> (665)
Nystatin (Fungicidin)

>  <Catalog Number> (665)
S1934

>  <Synonyms> (665)
N/A

>  <Target> (665)
Others

>  <Form> (665)
Free Base

>  <URL> (665)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (665)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/10101813202D

 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> (666)
1072

>  <Formula> (666)
C17H26ClNO4

>  <MolWeight> (666)
343.84564

>  <Item Name> (666)
Buflomedil HCl

>  <Catalog Number> (666)
S2607

>  <Synonyms> (666)
N/A

>  <Target> (666)
Adrenergic Receptor

>  <Form> (666)
Hydrochloride

>  <URL> (666)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (666)
35543-24-9

$$$$
Clobetasol propionate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (667)
1073

>  <Formula> (667)
C25H32ClFO5

>  <MolWeight> (667)
466.9699832

>  <Item Name> (667)
Clobetasol propionate

>  <Catalog Number> (667)
S2584

>  <Synonyms> (667)
N/A

>  <Target> (667)
Glucocorticoid Receptor

>  <Form> (667)
Free Base

>  <URL> (667)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (667)
25122-46-7

$$$$
Lonidamine.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (668)
1076

>  <Formula> (668)
C15H10Cl2N2O2

>  <MolWeight> (668)
321.1581

>  <Item Name> (668)
Lonidamine

>  <Catalog Number> (668)
S2610

>  <Synonyms> (668)
N/A

>  <Target> (668)
Others

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (668)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (669)
1077

>  <Formula> (669)
C15H11I4NO4

>  <MolWeight> (669)
776.87002

>  <Item Name> (669)
L-Thyroxine

>  <Catalog Number> (669)
S2599

>  <Synonyms> (669)
N/A

>  <Target> (669)
Others

>  <Form> (669)
Free Base

>  <URL> (669)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (669)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.0951    1.2082    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (670)
1078

>  <Formula> (670)
C8H17NO5

>  <MolWeight> (670)
207.22428

>  <Item Name> (670)
Miglitol (Glyset)

>  <Catalog Number> (670)
S2589

>  <Synonyms> (670)
N/A 

>  <Target> (670)
Others

>  <Form> (670)
Free Base

>  <URL> (670)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (670)
72432-03-2

$$$$
NADIDE.cdx
csChFnd80/10101813202D

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>  <Target> (671)
Others

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Free Base

>  <URL> (671)
http://www.selleckchem.com/products/nad.html

>  <CAS Number> (671)
53-84-9

$$$$
Phenacetin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (672)
1080

>  <Formula> (672)
C10H13NO2

>  <MolWeight> (672)
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Phenacetin

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>  <Synonyms> (672)
N/A

>  <Target> (672)
COX

>  <Form> (672)
Free Base

>  <URL> (672)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (672)
62-44-2

$$$$
Streptomycin sulfate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (673)
1082

>  <Formula> (673)
C42H84N14O36S3

>  <MolWeight> (673)
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>  <Item Name> (673)
Streptomycin sulfate

>  <Catalog Number> (673)
S2572

>  <Synonyms> (673)
N/A

>  <Target> (673)
Antifection

>  <Form> (673)
1.5 Sulfate

>  <URL> (673)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (673)
3810-74-0 

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (674)
1083

>  <Formula> (674)
C22H25ClN2O8

>  <MolWeight> (674)
480.8955

>  <Item Name> (674)
Tetracycline hydrochloride

>  <Catalog Number> (674)
S2574 

>  <Synonyms> (674)
N/A

>  <Target> (674)
Antifection

>  <Form> (674)
Hydrochloride

>  <URL> (674)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (674)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (675)
1084

>  <Formula> (675)
C12H15Cl2NO5S

>  <MolWeight> (675)
356.2222

>  <Item Name> (675)
Thiamphenicol (Thiophenicol)

>  <Catalog Number> (675)
S2583

>  <Synonyms> (675)
N/A 

>  <Target> (675)
Antifection

>  <Form> (675)
Free Base

>  <URL> (675)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (675)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (676)
1085

>  <Formula> (676)
C14H12ClNO2

>  <MolWeight> (676)
261.70358

>  <Item Name> (676)
Tolfenamic acid

>  <Catalog Number> (676)
S1959

>  <Synonyms> (676)
N/A

>  <Target> (676)
COX

>  <Form> (676)
Free Base

>  <URL> (676)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (676)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (677)
1086

>  <Formula> (677)
C26H25ClN2O3

>  <MolWeight> (677)
448.9413

>  <Item Name> (677)
Tolvaptan (OPC-41061)

>  <Catalog Number> (677)
S2593

>  <Synonyms> (677)
Samsca 

>  <Target> (677)
Estrogen/progestogen Receptor

>  <Form> (677)
Free Base

>  <URL> (677)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (677)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (678)
1087

>  <Formula> (678)
C10H13N5O4

>  <MolWeight> (678)
267.24132

>  <Item Name> (678)
Zidovudine (Retrovir)

>  <Catalog Number> (678)
S2579

>  <Synonyms> (678)
azidothymidine

>  <Target> (678)
Reverse Transcriptase

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (678)
30516-87-1

$$$$
Gliclazide.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
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1093

>  <Formula> (679)
C15H21N3O3S

>  <MolWeight> (679)
323.41054

>  <Item Name> (679)
Gliclazide (Diamicron)

>  <Catalog Number> (679)
S2601 

>  <Synonyms> (679)
N/A 

>  <Target> (679)
Potassium Channel

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (679)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (680)
1094

>  <Formula> (680)
C19H30O5

>  <MolWeight> (680)
338.4385

>  <Item Name> (680)
Idebenone

>  <Catalog Number> (680)
S2605 

>  <Synonyms> (680)
N/A

>  <Target> (680)
ROS

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (680)
58186-27-9

$$$$
Paeoniflorin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (681)
1095

>  <Formula> (681)
C23H28O11

>  <MolWeight> (681)
480.46182

>  <Item Name> (681)
Paeoniflorin

>  <Catalog Number> (681)
S2410

>  <Synonyms> (681)
N/A

>  <Target> (681)
Others

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/paeoniflorin.html

>  <CAS Number> (681)
23180-57-6 

$$$$
Quinapril hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (682)
1096

>  <Formula> (682)
C25H31ClN2O5

>  <MolWeight> (682)
474.97704

>  <Item Name> (682)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (682)
S2581

>  <Synonyms> (682)
N/A 

>  <Target> (682)
RAAS

>  <Form> (682)
Hydrochloride

>  <URL> (682)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (682)
82586-55-8

$$$$
Atracurium besylate.cdx
csChFnd80/10101813202D

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   14.5156   11.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8901   13.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8901   12.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6776   11.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4652   12.1479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   24.2528   10.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4610    9.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8321   11.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.4156   10.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   26.6734   10.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8859    9.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.6734    5.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9992   11.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0504    9.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6627    7.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4498    7.8215    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
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  4  7  1  0  0  0  0
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 33 34  1  0  0  0  0
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 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
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M  END
>  <Mol_ID> (683)
1099

>  <Formula> (683)
C65H82N2O18S2

>  <MolWeight> (683)
1243.47918

>  <Item Name> (683)
Atracurium besylate

>  <Catalog Number> (683)
S1832

>  <Synonyms> (683)
N/A

>  <Target> (683)
AChR

>  <Form> (683)
Dibesylate

>  <URL> (683)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (683)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.8903    4.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229    3.5575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.4000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  2  0  0  0  0
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  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (684)
1100

>  <Formula> (684)
C9H15NO3S

>  <MolWeight> (684)
217.2853

>  <Item Name> (684)
Captopril (Capoten)

>  <Catalog Number> (684)
S2051

>  <Synonyms> (684)
N/A 

>  <Target> (684)
RAAS

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (684)
62571-86-2

$$$$
Clindamycin phosphate.cdx
csChFnd80/10101813202D

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.0034    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0034    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2158    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4282    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2158    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6407    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6407    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8531    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0655    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 15 13  1  6  0  0  0
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 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
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 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
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 21 28  1  0  0  0  0
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 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (685)
1101

>  <Formula> (685)
C18H34ClN2O8PS

>  <MolWeight> (685)
504.962921

>  <Item Name> (685)
Clindamycin phosphate

>  <Catalog Number> (685)
S2048

>  <Synonyms> (685)
N/A

>  <Target> (685)
Antifection

>  <Form> (685)
Free Base

>  <URL> (685)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (685)
24729-96-2

$$$$
Cyproterone acetate.cdx
csChFnd80/10101813202D

 32 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4225    6.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2143    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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
  7 18  1  0  0  0  0
  2 19  2  0  0  0  0
  1 20  1  6  0  0  0
  6 20  1  6  0  0  0
 10 21  1  6  0  0  0
 11 22  1  6  0  0  0
  5 23  1  1  0  0  0
  9 24  1  1  0  0  0
 12 25  1  1  0  0  0
 17 26  1  1  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 17 29  1  6  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (686)
1103

>  <Formula> (686)
C24H29ClO4

>  <MolWeight> (686)
416.93766

>  <Item Name> (686)
Cyproterone acetate

>  <Catalog Number> (686)
S2042

>  <Synonyms> (686)
N/A

>  <Target> (686)
Androgen Receptor/P450

>  <Form> (686)
Free Base

>  <URL> (686)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (686)
427-51-0

$$$$
Doxifluridine.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    5.8761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    5.5850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4446    4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509    6.5186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    7.1506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
 10  5  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 14 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (687)
1105

>  <Formula> (687)
C9H11FN2O5

>  <MolWeight> (687)
246.1924432

>  <Item Name> (687)
Doxifluridine

>  <Catalog Number> (687)
S2045

>  <Synonyms> (687)
N/A

>  <Target> (687)
Phosphorylase

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (687)
3094-09-5

$$$$
Etidronate.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.9080    1.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    3.0725    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6572    4.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4979    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003    1.6783    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7003    3.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0980    1.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8629    0.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5668    0.9607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  1  3  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  1 11  1  0  0  0  0
M  END
>  <Mol_ID> (688)
1106

>  <Formula> (688)
C2H8O7P2

>  <MolWeight> (688)
206.028242

>  <Item Name> (688)
Etidronate (Didronel)

>  <Catalog Number> (688)
S1857

>  <Synonyms> (688)
N/A 

>  <Target> (688)
phosphatase

>  <Form> (688)
Free Base

>  <URL> (688)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (688)
2809-21-4

$$$$
Gimeracil.cdx
csChFnd80/10101813202D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (689)
1107

>  <Formula> (689)
C5H4ClNO2

>  <MolWeight> (689)
145.54376

>  <Item Name> (689)
Gimeracil

>  <Catalog Number> (689)
S2055

>  <Synonyms> (689)
N/A

>  <Target> (689)
Dehydrogenase

>  <Form> (689)
Free Base

>  <URL> (689)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (689)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    1.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0282    2.6124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  3  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  2  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19  1  1  0  0  0  0
 15 21  1  0  0  0  0
 10 22  2  0  0  0  0
 10 23  2  0  0  0  0
M  END
>  <Mol_ID> (690)
1108

>  <Formula> (690)
C13H10ClN3O4S2

>  <MolWeight> (690)
371.8192

>  <Item Name> (690)
Lornoxicam (Xefo)

>  <Catalog Number> (690)
S2047

>  <Synonyms> (690)
N/A 

>  <Target> (690)
COX

>  <Form> (690)
Free Base

>  <URL> (690)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (690)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
    8.3216    0.9987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6476    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9937    0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3480    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7019    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    3.3124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9937    1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.8513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5600    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  2  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 10  1  0  0  0  0
  2 12  1  0  0  0  0
  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (691)
1109

>  <Formula> (691)
C12H22ClN

>  <MolWeight> (691)
215.76278

>  <Item Name> (691)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (691)
S2043

>  <Synonyms> (691)
N/A 

>  <Target> (691)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (691)
Hydrochloride

>  <URL> (691)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (691)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/10101813202D

 48 47  0  0  0  0  0  0  0  0999 V2000
   23.1152    4.7707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.3318    5.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9027    5.4707    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6903    4.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5443    4.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3318    6.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4779    5.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6903    3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9027    6.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1152    3.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9274   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0259    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7254   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0259   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8289   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299   11.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7304   12.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   10.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8239    8.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2229    8.9100    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9224   10.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214   10.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0209   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214   12.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4199   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    7.6984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9274    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6269    2.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0259    2.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7254    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0259    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8289    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299    5.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7304    6.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    3.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8239    2.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2229    2.7543    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.9224    3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214    3.9659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0209    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3214    6.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4199    5.1775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9224    1.5428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (692)
1110

>  <Formula> (692)
C34H56N2O12

>  <MolWeight> (692)
684.81464

>  <Item Name> (692)
Metoprolol tartrate

>  <Catalog Number> (692)
S1856

>  <Synonyms> (692)
N/A

>  <Target> (692)
Adrenergic Receptor

>  <Form> (692)
Tartrate

>  <URL> (692)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (692)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  3 14  1  0  0  0  0
  9 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  9  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (693)
1111

>  <Formula> (693)
C13H12N2O5S

>  <MolWeight> (693)
308.30978

>  <Item Name> (693)
Nimesulide

>  <Catalog Number> (693)
S2040

>  <Synonyms> (693)
N/A

>  <Target> (693)
COX

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (693)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/10101813202D

 26 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6082    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8206    3.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  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
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  9 13  1  6  0  0  0
 14 15  1  0  0  0  0
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 16 22  1  1  0  0  0
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 18 24  1  6  0  0  0
 16 25  1  6  0  0  0
M  END
>  <Mol_ID> (694)
1112

>  <Formula> (694)
C12H19NO10

>  <MolWeight> (694)
337.27996

>  <Item Name> (694)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (694)
S2615

>  <Synonyms> (694)
N/A 

>  <Target> (694)
Adrenergic Receptor

>  <Form> (694)
bitartrate monohydrate

>  <URL> (694)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (694)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/10101813202D

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.8098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6500    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    7.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0791    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9844    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8341    2.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    4.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5604    1.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
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 14  1  1  0  0  0  0
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 16 17  2  0  0  0  0
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 19  4  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  2  0  0  0  0
 22 29  2  0  0  0  0
 24 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (695)
1113

>  <Formula> (695)
C24H31NO8

>  <MolWeight> (695)
461.50484

>  <Item Name> (695)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (695)
S2054

>  <Synonyms> (695)
N/A 

>  <Target> (695)
AChR

>  <Form> (695)
Citrate

>  <URL> (695)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (695)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/10101813202D

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.7229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 18 28  1  6  0  0  0
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 28 30  1  0  0  0  0
 14 31  1  6  0  0  0
  9 32  1  6  0  0  0
 10 33  1  1  0  0  0
 10 34  1  6  0  0  0
 12 35  1  6  0  0  0
M  END
>  <Mol_ID> (696)
1114

>  <Formula> (696)
C22H28N2O11

>  <MolWeight> (696)
496.46452

>  <Item Name> (696)
Oxytetracycline dihydrate

>  <Catalog Number> (696)
S2052 

>  <Synonyms> (696)
N/A

>  <Target> (696)
Others

>  <Form> (696)
Dihydrate

>  <URL> (696)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (696)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
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    4.8413    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7945    5.1194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6251    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (697)
1115

>  <Formula> (697)
C19H21ClN2O3S

>  <MolWeight> (697)
392.89964

>  <Item Name> (697)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (697)
S2046

>  <Synonyms> (697)
N/A 

>  <Target> (697)
P450 (e.g. CYP17)

>  <Form> (697)
Hydrochloride

>  <URL> (697)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (697)
112529-15-4

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6280    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4198    4.4210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    3.0234    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6322    2.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (698)
1118

>  <Formula> (698)
C16H13Cl3N2OS

>  <MolWeight> (698)
387.71122

>  <Item Name> (698)
Tioconazole

>  <Catalog Number> (698)
S1910

>  <Synonyms> (698)
N/A

>  <Target> (698)
Antifection

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (698)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    6.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 18 19  1  0  0  0  0
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 17 21  2  0  0  0  0
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 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (699)
1119

>  <Formula> (699)
C13H21ClN6O4

>  <MolWeight> (699)
360.79664

>  <Item Name> (699)
Valaciclovir HCl

>  <Catalog Number> (699)
S1876

>  <Synonyms> (699)
N/A

>  <Target> (699)
Antifection

>  <Form> (699)
Hydrochloride

>  <URL> (699)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (699)
124832-27-5 

$$$$

csChFnd80/10101813202D

 75 80  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (700)
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C58H66O15S2

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TAK-875

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S2637

>  <Synonyms> (700)
N/A

>  <Target> (700)
GPR 

>  <Form> (700)
Hydrate

>  <URL> (700)
http://www.selleckchem.com/products/tak-875.html

>  <CAS Number> (700)
1374598-80-7

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (701)
1121

>  <Formula> (701)
C16H28GdN5O9

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>  <Item Name> (701)
Gadodiamide Hydrate

>  <Catalog Number> (701)
S1751

>  <Synonyms> (701)
Omniscan

>  <Target> (701)
Others

>  <Form> (701)
Hydrate

>  <URL> (701)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (701)
122795-43-1

$$$$
Anacetrapib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (702)
1124

>  <Formula> (702)
C30H25F10NO3

>  <MolWeight> (702)
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>  <Item Name> (702)
Anacetrapib (MK-0859)

>  <Catalog Number> (702)
S2748

>  <Synonyms> (702)
N/A 

>  <Target> (702)
CETP

>  <Form> (702)
Free Base

>  <URL> (702)
http://www.selleckchem.com/products/anacetrapib-mk-0859.html

>  <CAS Number> (702)
875446-37-0

$$$$
PHA-848125.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (703)
1126

>  <Formula> (703)
C25H32N8O

>  <MolWeight> (703)
460.57458

>  <Item Name> (703)
PHA-848125

>  <Catalog Number> (703)
S2751

>  <Synonyms> (703)
N/A

>  <Target> (703)
CDK

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/pha-848125.html

>  <CAS Number> (703)
802539-81-7

$$$$
PENETREX (enoxacin).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (704)
1128

>  <Formula> (704)
C15H17FN4O3

>  <MolWeight> (704)
320.3188832

>  <Item Name> (704)
Enoxacin (Penetrex)

>  <Catalog Number> (704)
S1756

>  <Synonyms> (704)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (704)
Topoisomerase

>  <Form> (704)
Free Base

>  <URL> (704)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (704)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (705)
1129

>  <Formula> (705)
C20H22O3

>  <MolWeight> (705)
310.38688

>  <Item Name> (705)
Avobenzone (Parsol 1789)

>  <Catalog Number> (705)
S1904

>  <Synonyms> (705)
Eusolex 9020, Escalol 517, Parsol 1789 

>  <Target> (705)
Others

>  <Form> (705)
Free Base

>  <URL> (705)
http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (705)
70356-09-1

$$$$
AT13387.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (706)
1130

>  <Formula> (706)
C24H31N3O3

>  <MolWeight> (706)
409.52124

>  <Item Name> (706)
Onalespib (AT13387)

>  <Catalog Number> (706)
S1163

>  <Synonyms> (706)
N/A

>  <Target> (706)
HSP

>  <Form> (706)
Free Base

>  <URL> (706)
http://www.selleckchem.com/products/at13387.html

>  <CAS Number> (706)
912999-49-6

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (707)
1135

>  <Formula> (707)
C20H20N4O3

>  <MolWeight> (707)
364.3978

>  <Item Name> (707)
Ganetespib (STA-9090)

>  <Catalog Number> (707)
S1159

>  <Synonyms> (707)
N/A 

>  <Target> (707)
HSP

>  <Form> (707)
Free Base

>  <URL> (707)
http://www.selleckchem.com/products/ganetespib-sta-9090.html

>  <CAS Number> (707)
888216-25-9

$$$$
Lapatinib freebase.cdx
csChFnd80/10101813202D

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Lapatinib

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S2111

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N/A

>  <Target> (708)
EGFR, HER2

>  <Form> (708)
Free Base

>  <URL> (708)
http://www.selleckchem.com/products/lapatinib.html

>  <CAS Number> (708)
231277-92-2

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MK-8245.cdx
csChFnd80/10101813202D

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C17H16BrFN6O4

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MK-8245

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S1158

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N/A

>  <Target> (709)
Dehydrogenase

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/mk-8245.html

>  <CAS Number> (709)
1030612-90-8

$$$$
NVP-BGT226.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (710)
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>  <Formula> (710)
C32H29F3N6O6

>  <MolWeight> (710)
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>  <Item Name> (710)
NVP-BGT226

>  <Catalog Number> (710)
S2749

>  <Synonyms> (710)
N/A 

>  <Target> (710)
PI3K, mTOR

>  <Form> (710)
Maleate

>  <URL> (710)
http://www.selleckchem.com/products/nvp-bgt226.html

>  <CAS Number> (710)
1245537-68-1

$$$$
PA-824.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (711)
1140

>  <Formula> (711)
C14H12F3N3O5

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>  <Item Name> (711)
PA-824

>  <Catalog Number> (711)
S1162

>  <Synonyms> (711)
N/A

>  <Target> (711)
Antifection

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/pa-824.html

>  <CAS Number> (711)
187235-37-6

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (712)
1143

>  <Formula> (712)
C25H30ClI2NO3

>  <MolWeight> (712)
681.77254

>  <Item Name> (712)
Amiodarone HCl

>  <Catalog Number> (712)
S1979 

>  <Synonyms> (712)
N/A

>  <Target> (712)
Potassium Channel

>  <Form> (712)
Hydrochloride

>  <URL> (712)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (712)
19774-82-4

$$$$
KW-2478.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (713)
1145

>  <Formula> (713)
C30H42N2O9

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>  <Item Name> (713)
KW-2478

>  <Catalog Number> (713)
S2685

>  <Synonyms> (713)
N/A

>  <Target> (713)
HSP

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/kw-2478.html

>  <CAS Number> (713)
819812-04-9

$$$$
ARQ-197.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (714)
1147

>  <Formula> (714)
C23H19N3O2

>  <MolWeight> (714)
369.41586

>  <Item Name> (714)
ARQ 197 (Tivantinib)

>  <Catalog Number> (714)
S2753 

>  <Synonyms> (714)
N/A 

>  <Target> (714)
c-Met

>  <Form> (714)
Free Base

>  <URL> (714)
http://www.selleckchem.com/products/arq-197.html

>  <CAS Number> (714)
905854-02-6

$$$$
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csChFnd80/10101813202D

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EGFR

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Mesylate

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http://www.selleckchem.com/products/ast-1306.html

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1050500-29-2

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MK-2461.cdx
csChFnd80/10101813202D

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c-Met, FGFR, PDGFR

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Free Base

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http://www.selleckchem.com/products/mk-2461.html

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917879-39-1

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Dehydrogenase 

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Free Base

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95809-78-2

$$$$
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mTOR

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248281-84-7

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477600-75-2

$$$$
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M  END
>  <Mol_ID> (728)
1178

>  <Formula> (728)
C20H24N4O4

>  <MolWeight> (728)
384.42896

>  <Item Name> (728)
Istradefylline (KW-6002)

>  <Catalog Number> (728)
S2790

>  <Synonyms> (728)
N/A

>  <Target> (728)
Adenosine Receptor

>  <Form> (728)
Free Base

>  <URL> (728)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (728)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (729)
1179

>  <Formula> (729)
C26H25F9N2O4

>  <MolWeight> (729)
600.4733288

>  <Item Name> (729)
Torcetrapib (CP-529414)

>  <Catalog Number> (729)
S2792

>  <Synonyms> (729)
N/A 

>  <Target> (729)
CETP

>  <Form> (729)
Free Base

>  <URL> (729)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (729)
262352-17-0

$$$$
Plerixafor 8HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (730)
1183

>  <Formula> (730)
C28H62Cl8N8

>  <MolWeight> (730)
794.46948

>  <Item Name> (730)
Plerixafor 8HCl (DB06809)

>  <Catalog Number> (730)
S3013 

>  <Synonyms> (730)
AMD3100 

>  <Target> (730)
CXCR

>  <Form> (730)
Octahydrochloride 

>  <URL> (730)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (730)
155148-31-5

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (731)
1184

>  <Formula> (731)
C14H24N2O3

>  <MolWeight> (731)
268.35196

>  <Item Name> (731)
Ciclopirox ethanolamine

>  <Catalog Number> (731)
S3019 

>  <Synonyms> (731)
N/A

>  <Target> (731)
ATPase

>  <Form> (731)
Ethanolamine

>  <URL> (731)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (731)
41621-49-2

$$$$
Rimonabant.cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
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Cannabinoid Receptor 

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168273-06-1

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Cabazitaxel.cdx
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Microtubule Associated

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http://www.selleckchem.com/products/cabazitaxel-jevtana.html

>  <CAS Number> (733)
183133-96-2

$$$$
Bufexamac.cdx
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HDAC 

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

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2438-72-4

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Lamotrigine.cdx
csChFnd80/10101813202D

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84057-84-1

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PKC 

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http://www.selleckchem.com/products/sotrastaurin-aeb071.html

>  <CAS Number> (736)
425637-18-9

$$$$
Lonafarnib.cdx
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1194

>  <Formula> (737)
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>  <Item Name> (737)
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>  <Catalog Number> (737)
S2797

>  <Synonyms> (737)
N/A 

>  <Target> (737)
Transferase

>  <Form> (737)
Free Base

>  <URL> (737)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (737)
193275-84-2

$$$$
Bindarit.cdx
csChFnd80/10101813202D

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S3032 

>  <Synonyms> (738)
N/A 

>  <Target> (738)
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>  <Form> (738)
Free Base

>  <URL> (738)
http://www.selleckchem.com/products/bindarit.html

>  <CAS Number> (738)
130641-38-2

$$$$
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1200

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>  <MolWeight> (739)
388.54508

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Galeterone (TOK-001)

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>  <Synonyms> (739)
VN124-1 

>  <Target> (739)
Androgen Receptor, P450

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/galeterone-tok-001.html

>  <CAS Number> (739)
851983-85-2

$$$$
Aminoglutethimide .cdx
csChFnd80/10101813202D

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125-84-8

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5-alpha Reductase 

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http://www.selleckchem.com/products/Verteporfin(Visudyne).html

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129497-78-5

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Raf

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1195765-45-7

$$$$
BYL-719.cdx
csChFnd80/10101813202D

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N/A 

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PI3K

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1217486-61-7

$$$$
vildagliptin.cdx
csChFnd80/10101813202D

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S3033

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Galvus 

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DPP-4

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Free Base

>  <URL> (746)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

>  <CAS Number> (746)
274901-16-5

$$$$
CI994.cdx
csChFnd80/10101813202D

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C15H15N3O2

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>  <Item Name> (747)
CI994 (Tacedinaline)

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S2818 

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PD-123654 

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HDAC

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Free Base

>  <URL> (747)
http://www.selleckchem.com/products/ci994-tacedinaline.html

>  <CAS Number> (747)
112522-64-2

$$$$
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  1  0  0  0
  5 12  1  1  0  0  0
  9 13  1  1  0  0  0
 10 14  1  1  0  0  0
  6 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  2  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 31  1  6  0  0  0
 25 32  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (748)
1216

>  <Formula> (748)
C23H35NaO7

>  <MolWeight> (748)
446.50957

>  <Item Name> (748)
Pravastatin sodium

>  <Catalog Number> (748)
S3036

>  <Synonyms> (748)
Selektine 

>  <Target> (748)
HMG-CoA Reductase

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (748)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/10101813202D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    8.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    9.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.1316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3371    3.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9895    3.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    2.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    9.0219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077    8.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    9.0219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1201   10.4219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9077   11.1219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6953   10.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    9.7219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   12.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   11.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    8.3243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9969    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  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  1  0  0  0  0
 10 21  2  0  0  0  0
  7 22  2  0  0  0  0
 14 23  1  0  0  0  0
 11 24  1  0  0  0  0
 18 25  1  1  0  0  0
 16 26  1  1  0  0  0
 16 27  1  6  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  1  0  0  0
 34 37  1  1  0  0  0
 33 38  1  1  0  0  0
 32 39  1  1  0  0  0
M  END
>  <Mol_ID> (749)
1217

>  <Formula> (749)
C27H30ClNO10

>  <MolWeight> (749)
563.9808

>  <Item Name> (749)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (749)
S3035

>  <Synonyms> (749)
N/A 

>  <Target> (749)
Telomerase

>  <Form> (749)
Hydrochloride

>  <URL> (749)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (749)
23541-50-6

$$$$
Thalidomide.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4229    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7544    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.8890    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  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
  1 10  2  0  0  0  0
  3 11  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (750)
1226

>  <Formula> (750)
C13H10N2O4

>  <MolWeight> (750)
258.2295

>  <Item Name> (750)
Thalidomide

>  <Catalog Number> (750)
S1193

>  <Synonyms> (750)
Thalomid 

>  <Target> (750)
E3 Ligase ,TNF-alpha

>  <Form> (750)
Free Base

>  <URL> (750)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (750)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5870    9.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518    8.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  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
 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
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  4 29  1  6  0  0  0
 10 30  1  6  0  0  0
 11 31  1  6  0  0  0
M  END
>  <Mol_ID> (751)
1227

>  <Formula> (751)
C23H36N2O2

>  <MolWeight> (751)
372.54414

>  <Item Name> (751)
Finasteride

>  <Catalog Number> (751)
S1197

>  <Synonyms> (751)
N/A 

>  <Target> (751)
5-alpha Reductase

>  <Form> (751)
Free Base

>  <URL> (751)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (751)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/10101813202D

 31 30  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    0.0000    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
   10.9204    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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  3  0  0  0  0  0  0  0  0  0
   15.7701    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5262    1.3595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5262    2.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7386    3.4644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7386    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9511    5.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9511    6.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1635    4.8692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3138    3.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5  7  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 25 31  2  0  0  0  0
M  END
>  <Mol_ID> (752)
1228

>  <Formula> (752)
C22H35NO8

>  <MolWeight> (752)
441.5152

>  <Item Name> (752)
Bisoprolol fumarate

>  <Catalog Number> (752)
S1206

>  <Synonyms> (752)
EMD33512

>  <Target> (752)
Adrenergic Receptor

>  <Form> (752)
fumarate

>  <URL> (752)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (752)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6665    0.7742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0188    1.1365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3811    2.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.1465    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
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (753)
1229

>  <Formula> (753)
C6H10N6O

>  <MolWeight> (753)
182.1832

>  <Item Name> (753)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (753)
S1221

>  <Synonyms> (753)
DTIC 

>  <Target> (753)
DNA/RNA Synthesis

>  <Form> (753)
Free Base

>  <URL> (753)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (753)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.7516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.6516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.7516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    4.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    6.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    7.1842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.5921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5728    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    1.3269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7272    1.7595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7272    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    3.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8559    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1304    1.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4994    5.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
  8 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  1  0  0  0  0
 16 17  2  0  0  0  0
 14 18  1  1  0  0  0
 15 19  1  6  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (754)
1230

>  <Formula> (754)
C12H17N5O4

>  <MolWeight> (754)
295.29448

>  <Item Name> (754)
Entecavir hydrate

>  <Catalog Number> (754)
S1252

>  <Synonyms> (754)
Baraclude 

>  <Target> (754)
Reverse Transcriptase

>  <Form> (754)
Hydrate

>  <URL> (754)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (754)
209216-23-9

$$$$
Leucovorin Calcium.cdx
csChFnd80/10101813202D

 40 36  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.1765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    6.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.8789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    8.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    4.0691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    4.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    6.1765    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8624    6.8789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    8.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    8.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    6.1765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    6.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1497    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    8.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621    8.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5746    8.2813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    8.9813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9994    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2119    8.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    8.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   10.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870   10.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9994   11.0813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.4243    6.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6367    8.9813    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5746   11.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7416   11.7805    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   11.0184    3.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6183    3.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3184    2.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9183    2.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7184    2.3926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  5  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 23 29  2  0  0  0  0
 25 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 28 33  1  0  0  0  0
 30 34  2  0  0  0  0
M  END
>  <Mol_ID> (755)
1231

>  <Formula> (755)
C20H31CaN7O12

>  <MolWeight> (755)
601.57784

>  <Item Name> (755)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (755)
S1236

>  <Synonyms> (755)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (755)
Others

>  <Form> (755)
Hydrate

>  <URL> (755)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (755)
6035-45-6

$$$$
Rufinamide.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    3.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    0.6462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
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  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  2  0  0  0  0
 12 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (756)
1232

>  <Formula> (756)
C10H8F2N4O

>  <MolWeight> (756)
238.1935264

>  <Item Name> (756)
Rufinamide (Banzel)

>  <Catalog Number> (756)
S1256

>  <Synonyms> (756)
Banzel 

>  <Target> (756)
Sodium Channel

>  <Form> (756)
Free Base

>  <URL> (756)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (756)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/10101813202D

 44 47  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6827    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8951    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8951    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1033    5.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3158    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3158    7.6879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1033    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5240    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    9.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9827    6.8027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  6  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
 10  7  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  6 16  1  1  0  0  0
  2 17  1  1  0  0  0
 18  8  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  6  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 22 27  1  1  0  0  0
 23 28  1  6  0  0  0
 11 29  1  1  0  0  0
 15 30  1  1  0  0  0
 30 31  1  0  0  0  0
 12 32  1  6  0  0  0
 13 33  1  6  0  0  0
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 36 40  1  6  0  0  0
 37 41  1  1  0  0  0
 35 42  1  1  0  0  0
 39 43  1  1  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (757)
1233

>  <Formula> (757)
C25H43NO18

>  <MolWeight> (757)
645.60482

>  <Item Name> (757)
Acarbose

>  <Catalog Number> (757)
S1271

>  <Synonyms> (757)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (757)
Others

>  <Form> (757)
Free Base

>  <URL> (757)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (757)
56180-94-0

$$$$

csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
    5.4530   10.3749    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.0931    2.3540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    7.0719    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7000    6.6687    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4000    7.8811    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7245    8.3328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2669    9.8265    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.9603    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028    6.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    5.3322    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.8811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   10.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2569   10.8164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9326    5.6809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8008    9.2204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7366    4.6322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1366    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8341    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8341    5.8404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1366    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2293    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522    2.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837    2.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3837    4.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522    4.5566    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7442    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4532    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6656    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7060    0.9368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5341    2.2115    0.0000 O   0  0  0  0  0  0  0  0  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
  3  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  5 11  1  1  0  0  0
  4 11  1  1  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  3 14  1  1  0  0  0
  6 15  1  6  0  0  0
 10 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 20 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 20  1  0  0  0  0
 18 30  1  0  0  0  0
M  END
>  <Mol_ID> (758)
1235

>  <Formula> (758)
C19H24BrNO5S2

>  <MolWeight> (758)
490.43156

>  <Item Name> (758)
Tiotropium Bromide hydrate

>  <Catalog Number> (758)
S2547

>  <Synonyms> (758)
N/A 

>  <Target> (758)
AChR

>  <Form> (758)
quaternary-N bromide salt&hydr

>  <URL> (758)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (758)
139404-48-1

$$$$
Sodium salicylate.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.7000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (759)
1241

>  <Formula> (759)
C7H6NaO3

>  <MolWeight> (759)
161.11051

>  <Item Name> (759)
Sodium salicylate

>  <Catalog Number> (759)
S3137

>  <Synonyms> (759)
N/A 

>  <Target> (759)
NF-¦ÊB

>  <Form> (759)
sodium salt

>  <URL> (759)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (759)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.5124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 18  1  0  0  0  0
M  END
>  <Mol_ID> (760)
1242

>  <Formula> (760)
C11H12N4O2S

>  <MolWeight> (760)
264.30358

>  <Item Name> (760)
Sulfamerazine

>  <Catalog Number> (760)
S3132

>  <Synonyms> (760)
N/A 

>  <Target> (760)
Antifection

>  <Form> (760)
Free Base

>  <URL> (760)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (760)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8313    3.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    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    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  8 11  2  0  0  0  0
  8 12  2  0  0  0  0
 10 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 10  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
M  END
>  <Mol_ID> (761)
1243

>  <Formula> (761)
C12H14N4O2S

>  <MolWeight> (761)
278.33016

>  <Item Name> (761)
Sulfamethazine

>  <Catalog Number> (761)
S3133

>  <Synonyms> (761)
N/A 

>  <Target> (761)
Antifection

>  <Form> (761)
Free Base

>  <URL> (761)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (761)
57-68-1

$$$$
Trimethoprim.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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
    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   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
  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
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 14 16  1  0  0  0  0
 18 19  1  0  0  0  0
 13 18  1  0  0  0  0
 20 21  1  0  0  0  0
 12 20  1  0  0  0  0
  9 10  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (762)
1246

>  <Formula> (762)
C14H18N4O3

>  <MolWeight> (762)
290.31772

>  <Item Name> (762)
Trimethoprim

>  <Catalog Number> (762)
S3129

>  <Synonyms> (762)
N/A 

>  <Target> (762)
Antifection

>  <Form> (762)
Free Base

>  <URL> (762)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (762)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  5  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (763)
1247

>  <Formula> (763)
C14H15N3O5

>  <MolWeight> (763)
305.286

>  <Item Name> (763)
Entacapone

>  <Catalog Number> (763)
S3147 

>  <Synonyms> (763)
N/A 

>  <Target> (763)
Histone Methyltransferase

>  <Form> (763)
Free Base

>  <URL> (763)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (763)
130929-57-6

$$$$
Ibandronate sodium.cdx
csChFnd80/10101813202D

 21 18  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.9573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    5.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    5.5673    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9631    4.4948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939    6.7369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1862    6.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3970    3.0811    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.7126    3.5599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9516    1.7956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1460    2.4528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1710    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.5043    0.3646    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
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  3  4  1  0  0  0  0
  1 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  1 12  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (764)
1248

>  <Formula> (764)
C9H25NNaO8P2

>  <MolWeight> (764)
360.233992

>  <Item Name> (764)
Ibandronate sodium

>  <Catalog Number> (764)
S3148

>  <Synonyms> (764)
N/A 

>  <Target> (764)
Others

>  <Form> (764)
Sodium

>  <URL> (764)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (764)
138926-19-9

$$$$
Estradiol Valerate.cdx
csChFnd80/10101813202D

 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
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (765)
1249

>  <Formula> (765)
C23H32O3

>  <MolWeight> (765)
356.49838

>  <Item Name> (765)
Estradiol valerate

>  <Catalog Number> (765)
S3149

>  <Synonyms> (765)
N/A 

>  <Target> (765)
Estrogen/progestogen Receptor

>  <Form> (765)
Free Base

>  <URL> (765)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (765)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/10101813202D

 20 19  0  0  0  0  0  0  0  0999 V2000
    8.5536    3.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    6.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.8030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8447    2.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043    1.4564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1970    2.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.6320    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3806    6.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1869    3.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 14  1  0  0  0  0
 11 13  1  0  0  0  0
 10 17  2  0  0  0  0
  9 10  1  0  0  0  0
  2  9  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
>  <Mol_ID> (766)
1250

>  <Formula> (766)
C13H21ClN2O3S

>  <MolWeight> (766)
320.83544

>  <Item Name> (766)
Articaine HCl

>  <Catalog Number> (766)
S3150

>  <Synonyms> (766)
N/A 

>  <Target> (766)
Others

>  <Form> (766)
Hydrochloride

>  <URL> (766)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (766)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/10101813202D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.4000   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   14.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   15.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0213    4.4431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   17.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   18.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 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  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 13 22  1  0  0  0  0
 17 22  2  0  0  0  0
 15 23  2  0  0  0  0
 13 24  2  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  0  0  0  0
 27 28  1  0  0  0  0
 20 27  1  0  0  0  0
 12 14  1  0  0  0  0
  4 11  1  0  0  0  0
 29 30  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 37  1  0  0  0  0
 31 32  1  0  0  0  0
 29 31  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
>  <Mol_ID> (767)
1251

>  <Formula> (767)
C27H33N3O6S

>  <MolWeight> (767)
527.63242

>  <Item Name> (767)
Gliquidone

>  <Catalog Number> (767)
S3151

>  <Synonyms> (767)
Glurenorm 

>  <Target> (767)
Potassium Channel

>  <Form> (767)
Free Base

>  <URL> (767)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (767)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    9.8000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1 10  2  0  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
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (768)
1252

>  <Formula> (768)
C23H28ClN

>  <MolWeight> (768)
353.92812

>  <Item Name> (768)
Butenafine HCl

>  <Catalog Number> (768)
S3154

>  <Synonyms> (768)
N/A 

>  <Target> (768)
Antifection

>  <Form> (768)
HCl

>  <URL> (768)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (768)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (769)
1253

>  <Formula> (769)
C15H23ClN2O

>  <MolWeight> (769)
282.80892

>  <Item Name> (769)
Mepivacaine HCl

>  <Catalog Number> (769)
S3155

>  <Synonyms> (769)
N/A 

>  <Target> (769)
Sodium Channel

>  <Form> (769)
HCl

>  <URL> (769)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (769)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/10101813202D

 76 78  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (770)
1254

>  <Formula> (770)
C50H83NO23

>  <MolWeight> (770)
1066.18692

>  <Item Name> (770)
Tylosin tartrate

>  <Catalog Number> (770)
S3162

>  <Synonyms> (770)
N/A 

>  <Target> (770)
Antifection

>  <Form> (770)
Tartrate

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

>  <CAS Number> (770)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
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    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> (771)
1255

>  <Formula> (771)
C22H29NO4S

>  <MolWeight> (771)
403.53496

>  <Item Name> (771)
Benztropine mesylate

>  <Catalog Number> (771)
S3163

>  <Synonyms> (771)
N/A 

>  <Target> (771)
Histamine Receptor

>  <Form> (771)
Mesylate

>  <URL> (771)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (771)
132-17-2

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/10101813202D

 13 11  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.1342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7342    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9264    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  1 11  2  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <Mol_ID> (772)
1256

>  <Formula> (772)
C6H15ClN4O2

>  <MolWeight> (772)
210.6619

>  <Item Name> (772)
L-Arginine HCl

>  <Catalog Number> (772)
S3174

>  <Synonyms> (772)
N/A 

>  <Target> (772)
NOS

>  <Form> (772)
HCl

>  <URL> (772)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (772)
1119-34-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/10101813202D

 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> (773)
1257

>  <Formula> (773)
C8H14Cl2N2

>  <MolWeight> (773)
209.11616

>  <Item Name> (773)
Betahistine 2HCl

>  <Catalog Number> (773)
S3176

>  <Synonyms> (773)
N/A 

>  <Target> (773)
Histamine Receptor

>  <Form> (773)
2HCl

>  <URL> (773)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (773)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.3834    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5958    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3048    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3430    5.1368    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6282    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.8406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047    3.0431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    1.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  8 10  1  0  0  0  0
  1 14  2  0  0  0  0
  1 15  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
  2 16  1  0  0  0  0
 22 23  1  0  0  0  0
 21 22  1  0  0  0  0
  4 21  1  1  0  0  0
M  END
>  <Mol_ID> (774)
1258

>  <Formula> (774)
C12H21N3O5S3

>  <MolWeight> (774)
383.50724

>  <Item Name> (774)
Brinzolamide

>  <Catalog Number> (774)
S3178

>  <Synonyms> (774)
Azopt 

>  <Target> (774)
Carbonic Anhydrase

>  <Form> (774)
Free Base

>  <URL> (774)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (774)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/10101813202D

 29 29  0  0  0  0  0  0  0  0999 V2000
    3.7413    3.0850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    3.3761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2255    4.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    5.3379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    4.2975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6537    3.5975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9537    2.3850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6938    1.0870    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3161    1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8561    4.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929    6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0060    3.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6336    1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3483    3.3322    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7106    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7207    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4353    7.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4253    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0629    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3382    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6905    2.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9759    0.9899    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4312    5.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.1452    3.7576    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  1  0  0  0
  7 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 23  2  0  0  0  0
 17 18  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 17 24  1  0  0  0  0
 14 15  1  0  0  0  0
  6 14  1  6  0  0  0
  5 27  1  1  0  0  0
M  END
>  <Mol_ID> (775)
1259

>  <Formula> (775)
C17H16N2Na2O6S

>  <MolWeight> (775)
422.36328

>  <Item Name> (775)
Carbenicillin disodium

>  <Catalog Number> (775)
S3179

>  <Synonyms> (775)
N/A 

>  <Target> (775)
Antifection

>  <Form> (775)
Disodium

>  <URL> (775)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (775)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/10101813202D

 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> (776)
1260

>  <Formula> (776)
C22H27BrN2O2S

>  <MolWeight> (776)
463.43098

>  <Item Name> (776)
Eletriptan HBr

>  <Catalog Number> (776)
S3180

>  <Synonyms> (776)
N/A 

>  <Target> (776)
5-HT Receptor

>  <Form> (776)
HBr

>  <URL> (776)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (776)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8487    2.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    4.9017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    2.8017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2114    2.1017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2114    0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0614    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6363    6.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    7.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    7.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    4.9017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2735    0.0015    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (777)
1261

>  <Formula> (777)
C14H12FNO3

>  <MolWeight> (777)
261.2483832

>  <Item Name> (777)
Flumequine

>  <Catalog Number> (777)
S3181

>  <Synonyms> (777)
N/A 

>  <Target> (777)
Topoisomerase

>  <Form> (777)
Free Base

>  <URL> (777)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (777)
42835-25-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/10101813202D

 33 35  0  0  0  0  0  0  0  0999 V2000
    5.8899    6.2769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9632    4.8789    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6562    4.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    5.4651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377    6.6393    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9000    7.9916    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2523    7.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1374    4.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3498    4.8164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.2040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   10.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   11.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   12.8413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   12.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3923   14.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   14.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612   15.6238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647    8.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2918    3.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  1  5  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  0  0  0  0
 22 23  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 24 28  1  0  0  0  0
 24 29  2  0  0  0  0
 22 28  1  0  0  0  0
 21 22  1  0  0  0  0
 14 21  1  1  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
  7 30  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (778)
1263

>  <Formula> (778)
C20H23N5NaO6S

>  <MolWeight> (778)
484.48129

>  <Item Name> (778)
Azlocillin sodium salt

>  <Catalog Number> (778)
S3195

>  <Synonyms> (778)
N/A 

>  <Target> (778)
Antifection

>  <Form> (778)
Sodium Salt

>  <URL> (778)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (778)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/10101813202D

 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> (779)
1264

>  <Formula> (779)
C21H26Cl2F3N3S

>  <MolWeight> (779)
480.4174496

>  <Item Name> (779)
Trifluoperazine 2HCl

>  <Catalog Number> (779)
S3201

>  <Synonyms> (779)
 N/A 

>  <Target> (779)
Dopamine Receptor

>  <Form> (779)
Dihydrochlorid

>  <URL> (779)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (779)
440-17-5

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/10101813202D

 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
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    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
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  9 10  1  0  0  0  0
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 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> (780)
1266

>  <Formula> (780)
C9H12ClNO3

>  <MolWeight> (780)
217.64948

>  <Item Name> (780)
Adrenalone HCl

>  <Catalog Number> (780)
S3185

>  <Synonyms> (780)
N/A 

>  <Target> (780)
Adrenergic Receptor

>  <Form> (780)
hydrochloride

>  <URL> (780)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (780)
62-13-5

$$$$
Reboxetine mesylate.cdx
csChFnd80/10101813202D

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.2040    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2040    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    5.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    5.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    5.7703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0453    7.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    5.0727    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    7.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    3.6727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
  3 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
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 23 10  1  0  0  0  0
 10 24  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (781)
1268

>  <Formula> (781)
C20H27NO6S

>  <MolWeight> (781)
409.49648

>  <Item Name> (781)
Reboxetine mesylate

>  <Catalog Number> (781)
S3199 

>  <Synonyms> (781)
N/A 

>  <Target> (781)
Others

>  <Form> (781)
Mesylate

>  <URL> (781)
http://www.selleckchem.com/products/reboxetine-mesylate.html

>  <CAS Number> (781)
98769-84-7

$$$$
Triflusal.cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.0124    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3124    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4124    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  2  7  2  0  0  0  0
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  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  5 10  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 14 15  1  0  0  0  0
  3 14  1  0  0  0  0
M  END
>  <Mol_ID> (782)
1269

>  <Formula> (782)
C10H7F3O4

>  <MolWeight> (782)
248.1553896

>  <Item Name> (782)
Triflusal

>  <Catalog Number> (782)
S3200

>  <Synonyms> (782)
N/A 

>  <Target> (782)
COX

>  <Form> (782)
Free Base

>  <URL> (782)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (782)
322-79-2

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/10101813202D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.4446    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    5.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8694    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    8.6737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0197    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8115    5.8761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6570    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8652    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0777    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0777    0.2858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4983    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7066    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9148    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0611    0.2911    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.4305    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1305    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1937    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    7.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    8.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    7.0447    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3243    6.0043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 17 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  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 12 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 12  2  0  0  0  0
 30 32  1  6  0  0  0
M  END
>  <Mol_ID> (783)
1273

>  <Formula> (783)
C22H19ClN6O2S

>  <MolWeight> (783)
466.94326

>  <Item Name> (783)
Varlitinib

>  <Catalog Number> (783)
S2755

>  <Synonyms> (783)
ARRY334543

>  <Target> (783)
EGFR

>  <Form> (783)
Free Base

>  <URL> (783)
http://www.selleckchem.com/products/arry334543.html

>  <CAS Number> (783)
845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/10101813202D

 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> (784)
1274

>  <Formula> (784)
C12H17ClN2S

>  <MolWeight> (784)
256.79478

>  <Item Name> (784)
Xylazine HCl

>  <Catalog Number> (784)
S2516

>  <Synonyms> (784)
N/A 

>  <Target> (784)
Adrenergic Receptor

>  <Form> (784)
Hydrochloride

>  <URL> (784)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (784)
23076-35-9

$$$$
Fexofenadine HCl.cdx
csChFnd80/10101813202D

 38 40  0  0  0  0  0  0  0  0999 V2000
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0991    4.1903    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   12.0991    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5198    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 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  8  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  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
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (785)
1276

>  <Formula> (785)
C32H40ClNO4

>  <MolWeight> (785)
538.1173

>  <Item Name> (785)
Fexofenadine HCl

>  <Catalog Number> (785)
S3208

>  <Synonyms> (785)
N/A 

>  <Target> (785)
Histamine Receptor

>  <Form> (785)
hydrochloride

>  <URL> (785)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (785)
153439-40-8

$$$$
Thiamine hydrochloride.cdx
csChFnd80/10101813202D

 20 19  0  0  0  0  0  0  0  0999 V2000
    5.8805    2.3668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111    2.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3648    4.0502    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6437    4.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5805    3.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9348    5.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9728    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1881    2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   10.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0165    2.5253    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    3.1215    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
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 10 14  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (786)
1278

>  <Formula> (786)
C12H18Cl2N4OS

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>  <Item Name> (786)
Thiamine HCl (Vitamin B1)

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S3211

>  <Synonyms> (786)
N/A

>  <Target> (786)
Vitamin

>  <Form> (786)
Hydrochloride

>  <URL> (786)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (786)
67-03-8

$$$$
Moclobemide.cdx
csChFnd80/10101813202D

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>  <Formula> (787)
C13H17ClN2O2

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>  <Item Name> (787)
Moclobemide (Ro 111163)

>  <Catalog Number> (787)
S3212

>  <Synonyms> (787)
N/A 

>  <Target> (787)
MAO

>  <Form> (787)
Free Base

>  <URL> (787)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (787)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/10101813202D

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1280

>  <Formula> (788)
C19H14N2O2S

>  <MolWeight> (788)
334.39166

>  <Item Name> (788)
Tideglusib

>  <Catalog Number> (788)
S2823

>  <Synonyms> (788)
N/A 

>  <Target> (788)
GSK-3

>  <Form> (788)
Free Base

>  <URL> (788)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (788)
865854-05-3 

$$$$
ARN-509.cdx
csChFnd80/10101813202D

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C21H15F4N5O2S

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ARN-509

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N/A 

>  <Target> (789)
Adrenergic Receptor

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Free Base

>  <URL> (789)
http://www.selleckchem.com/products/arn-509.html

>  <CAS Number> (789)
956104-40-8

$$$$
Ascorbic acid.cdx
csChFnd80/10101813202D

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C6H8O6

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N/A 

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Vitamin

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Free Base

>  <URL> (790)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

>  <CAS Number> (790)
50-81-7

$$$$
Sulfathiazole.cdx
csChFnd80/10101813202D

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Antifection

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Free Base

>  <URL> (791)
http://www.selleckchem.com/products/sulfathiazole.html

>  <CAS Number> (791)
72-14-0

$$$$
carfilzomib(PR-171).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (792)
1284

>  <Formula> (792)
C40H57N5O7

>  <MolWeight> (792)
719.90988

>  <Item Name> (792)
Carfilzomib (PR-171)

>  <Catalog Number> (792)
S2853

>  <Synonyms> (792)
N/A 

>  <Target> (792)
Proteasome

>  <Form> (792)
Free Base

>  <URL> (792)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (792)
868540-17-4

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (793)
1286

>  <Formula> (793)
C17H14O4S

>  <MolWeight> (793)
314.35566

>  <Item Name> (793)
Rofecoxib (Vioxx)

>  <Catalog Number> (793)
S3043

>  <Synonyms> (793)
N/A 

>  <Target> (793)
COX

>  <Form> (793)
Free Base

>  <URL> (793)
http://www.selleckchem.com/products/rofecoxib-vioxx.html

>  <CAS Number> (793)
N/A 

$$$$
Azilsartan.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (794)
1287

>  <Formula> (794)
C25H20N4O5

>  <MolWeight> (794)
456.4501

>  <Item Name> (794)
Azilsartan (TAK-536)

>  <Catalog Number> (794)
S3046

>  <Synonyms> (794)
N/A 

>  <Target> (794)
RAAS

>  <Form> (794)
Free Base

>  <URL> (794)
http://www.selleckchem.com/products/azilsartan-tak-536.html

>  <CAS Number> (794)
147403-03-0

$$$$
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csChFnd80/10101813202D

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M  END
>  <Mol_ID> (795)
1288

>  <Formula> (795)
C26H35N3O9

>  <MolWeight> (795)
533.5708

>  <Item Name> (795)
Cinepazide maleate

>  <Catalog Number> (795)
S3045

>  <Synonyms> (795)
N/A 

>  <Target> (795)
Calcium Channel

>  <Form> (795)
Maleate

>  <URL> (795)
http://www.selleckchem.com/products/cinepazide-maleate.html

>  <CAS Number> (795)
26328-04-1

$$$$
Semaxanib.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (796)
1290

>  <Formula> (796)
C15H14N2O

>  <MolWeight> (796)
238.28446

>  <Item Name> (796)
Semaxanib (SU5416)

>  <Catalog Number> (796)
S2845

>  <Synonyms> (796)
N/A 

>  <Target> (796)
VEGFR

>  <Form> (796)
Free Base

>  <URL> (796)
http://www.selleckchem.com/products/semaxanib-su5416.html

>  <CAS Number> (796)
194413-58-6

$$$$
Equol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (797)
1292

>  <Formula> (797)
C15H14O3

>  <MolWeight> (797)
242.26986

>  <Item Name> (797)
Equol

>  <Catalog Number> (797)
S2450

>  <Synonyms> (797)
N/A 

>  <Target> (797)
Estrogen/progestogen Receptor

>  <Form> (797)
Free Base

>  <URL> (797)
http://www.selleckchem.com/products/equol.html

>  <CAS Number> (797)
531-95-3

$$$$
Otilonium Bromide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (798)
1297

>  <Formula> (798)
C29H43BrN2O4

>  <MolWeight> (798)
563.56672

>  <Item Name> (798)
Otilonium Bromide

>  <Catalog Number> (798)
S3047

>  <Synonyms> (798)
N/A

>  <Target> (798)
AChR

>  <Form> (798)
quaternary-N bromide salt

>  <URL> (798)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (798)
26095-59-0

$$$$
Palonosetron HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (799)
1298

>  <Formula> (799)
C19H25ClN2O

>  <MolWeight> (799)
332.8676

>  <Item Name> (799)
Palonosetron HCl

>  <Catalog Number> (799)
S3050

>  <Synonyms> (799)
N/A 

>  <Target> (799)
5-HT Receptor

>  <Form> (799)
HCL

>  <URL> (799)
http://www.selleckchem.com/products/palonosetron-hcl.html

>  <CAS Number> (799)
135729-62-3

$$$$
E7050.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (800)
1304

>  <Formula> (800)
C33H37F2N7O4

>  <MolWeight> (800)
633.6881864

>  <Item Name> (800)
Golvatinib (E7050) 

>  <Catalog Number> (800)
S2859

>  <Synonyms> (800)
E7050

>  <Target> (800)
c-Met, VEGFR

>  <Form> (800)
Free Base

>  <URL> (800)
http://www.selleckchem.com/products/golvatinib-e7050.html

>  <CAS Number> (800)
928037-13-2

$$$$
Bosentan hydrate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (801)
1305

>  <Formula> (801)
C27H31N5O7S

>  <MolWeight> (801)
569.62934

>  <Item Name> (801)
Bosentan Hydrate

>  <Catalog Number> (801)
S3051

>  <Synonyms> (801)
N/A

>  <Target> (801)
ETA Receptor

>  <Form> (801)
Hydrate

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

>  <CAS Number> (801)
157212-55-0

$$$$
Azelnidipine.cdx
csChFnd80/10101813202D

 43 47  0  0  0  0  0  0  0  0999 V2000
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   11.4141    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6266    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (802)
1309

>  <Formula> (802)
C33H34N4O6

>  <MolWeight> (802)
582.64626

>  <Item Name> (802)
Azelnidipine

>  <Catalog Number> (802)
S3053

>  <Synonyms> (802)
N/A

>  <Target> (802)
Calcium Channel

>  <Form> (802)
Free Base

>  <URL> (802)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (802)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/10101813202D

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   16.9288    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0791    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8666    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  2 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  1 14  1  6  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
 26 27  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 23 27  1  0  0  0  0
 22 13  1  6  0  0  0
 22 28  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 29 33  2  0  0  0  0
 29 34  1  0  0  0  0
 32 35  2  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (803)
1310

>  <Formula> (803)
C27H32N2O6

>  <MolWeight> (803)
480.55278

>  <Item Name> (803)
Solifenacin succinate

>  <Catalog Number> (803)
S3048

>  <Synonyms> (803)
N/A

>  <Target> (803)
AChR

>  <Form> (803)
Succinate

>  <URL> (803)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (803)
242478-38-2

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/10101813202D

 36 35  0  0  0  0  0  0  0  0999 V2000
   15.2972    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5097    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9345    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.1470    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3594    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5718    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7843    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9967    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2091    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2972    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0848    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4216    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2091    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7221    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6340    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0589    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0589    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8464   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.8723    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4475    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.3555    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9555    5.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  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  2  0  0  0  0
  1 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 12 19  2  0  0  0  0
  3 20  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 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (804)
1313

>  <Formula> (804)
C22H32Cl4N10

>  <MolWeight> (804)
578.36848

>  <Item Name> (804)
Chlorhexidine HCl

>  <Catalog Number> (804)
S3067

>  <Synonyms> (804)
N/A

>  <Target> (804)
Antifection

>  <Form> (804)
Dihydrochlorid

>  <URL> (804)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (804)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5806    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3878    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    7.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2083    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2083    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4208    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6332    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4208    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
  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  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (805)
1314

>  <Formula> (805)
C18H22Cl2N2O2

>  <MolWeight> (805)
369.28548

>  <Item Name> (805)
Diclofenac Diethylamine

>  <Catalog Number> (805)
S3063

>  <Synonyms> (805)
N/A

>  <Target> (805)
COX

>  <Form> (805)
Diethylamine

>  <URL> (805)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (805)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/10101813202D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0580    6.9927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2166    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.0785    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 17  1  0  0  0  0
 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (806)
1315

>  <Formula> (806)
C14H10Cl2KNO2

>  <MolWeight> (806)
334.239

>  <Item Name> (806)
Diclofenac Potassium

>  <Catalog Number> (806)
S3062

>  <Synonyms> (806)
N/A

>  <Target> (806)
Immunology & Inflammation related

>  <Form> (806)
Potassium

>  <URL> (806)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (806)
15307-81-0

$$$$
Inosine.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.7495    3.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    2.4602    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4495    1.1287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8822    2.4602    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2295    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2901    2.8913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954    2.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5280    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    4.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2628    2.8810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7954    5.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    6.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6954    6.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9954    5.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1905    5.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  1  6  0  0  0
  4  7  1  6  0  0  0
  2  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  5 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (807)
1320

>  <Formula> (807)
C10H12N4O5

>  <MolWeight> (807)
268.22608

>  <Item Name> (807)
Inosine

>  <Catalog Number> (807)
S2442

>  <Synonyms> (807)
N/A

>  <Target> (807)
Others

>  <Form> (807)
Free Base

>  <URL> (807)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (807)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/10101813202D

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (808)
1321

>  <Formula> (808)
C28H37ClO7

>  <MolWeight> (808)
521.04218

>  <Item Name> (808)
Beclomethasone dipropionate 

>  <Catalog Number> (808)
S3078

>  <Synonyms> (808)
Beclometasone dipropionate

>  <Target> (808)
Glucocorticoid Receptor

>  <Form> (808)
Free Base

>  <URL> (808)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (808)
5534-09-8

$$$$
Pircetam.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (809)
1323

>  <Formula> (809)
C6H10N2O2

>  <MolWeight> (809)
142.1558

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Piracetam

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S3070

>  <Synonyms> (809)
N/A

>  <Target> (809)
GluR

>  <Form> (809)
Free Base

>  <URL> (809)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (809)
7491-74-9

$$$$
(R)-baclofen.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (810)
1325

>  <Formula> (810)
C10H12ClNO2

>  <MolWeight> (810)
213.66078

>  <Item Name> (810)
(R)-baclofen

>  <Catalog Number> (810)
S3072

>  <Synonyms> (810)
N/A

>  <Target> (810)
GABA Receptor

>  <Form> (810)
Free Base

>  <URL> (810)
http://www.selleckchem.com/products/r-baclofen.html

>  <CAS Number> (810)
69308-37-8

$$$$
Dexmedetomidine.cdx
csChFnd80/10101813202D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (811)
1326

>  <Formula> (811)
C13H16N2

>  <MolWeight> (811)
200.27954

>  <Item Name> (811)
Dexmedetomidine

>  <Catalog Number> (811)
S3075

>  <Synonyms> (811)
N/A

>  <Target> (811)
Adrenergic Receptor

>  <Form> (811)
Free Base

>  <URL> (811)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (811)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/10101813202D

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    1.4000    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (812)
1327

>  <Formula> (812)
CNa3O5P

>  <MolWeight> (812)
191.950771

>  <Item Name> (812)
Foscarnet Sodium

>  <Catalog Number> (812)
S3076

>  <Synonyms> (812)
N/A

>  <Target> (812)
Reverse Transcriptase

>  <Form> (812)
Sodium

>  <URL> (812)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (812)
63585-09-1
63585-09-1

$$$$
untitled.cdx
csChFnd80/10101813202D

 27 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (813)
1329

>  <Formula> (813)
C21H46NO4P

>  <MolWeight> (813)
407.568001

>  <Item Name> (813)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (813)
S3056

>  <Synonyms> (813)
N/A

>  <Target> (813)
Akt

>  <Form> (813)
Free Base

>  <URL> (813)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (813)
58066-85-6

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/10101813202D

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M  END
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1333

>  <Formula> (814)
C22H19ClO3

>  <MolWeight> (814)
366.83746

>  <Item Name> (814)
Atovaquone (Atavaquone)

>  <Catalog Number> (814)
S3079

>  <Synonyms> (814)
N/A

>  <Target> (814)
Antifection

>  <Form> (814)
Free Base

>  <URL> (814)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (814)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (815)
1334

>  <Formula> (815)
C20H15BrN6O

>  <MolWeight> (815)
435.2767

>  <Item Name> (815)
Etravirine (TMC125)

>  <Catalog Number> (815)
S3080

>  <Synonyms> (815)
N/A

>  <Target> (815)
Reverse Transcriptase

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (815)
269055-15-4

$$$$
Camostat mesilate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (816)
1337

>  <Formula> (816)
C21H26N4O8S

>  <MolWeight> (816)
494.51814

>  <Item Name> (816)
Camostat Mesilate (FOY-305)

>  <Catalog Number> (816)
S2874

>  <Synonyms> (816)
N/A

>  <Target> (816)
HCV Protease

>  <Form> (816)
Mesilate

>  <URL> (816)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

>  <CAS Number> (816)
59721-29-8

$$$$
Rupatadine fumarate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (817)
1338

>  <Formula> (817)
C30H30ClN3O4

>  <MolWeight> (817)
532.0299

>  <Item Name> (817)
Rupatadine Fumarate

>  <Catalog Number> (817)
S3052

>  <Synonyms> (817)
N/A

>  <Target> (817)
Histamine Receptor

>  <Form> (817)
Fumarate

>  <URL> (817)
http://www.selleckchem.com/products/rupatadine-fumarate.html

>  <CAS Number> (817)
182349-12-8

$$$$
L-NAME HCl.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (818)
1343

>  <Formula> (818)
C7H16ClN5O4

>  <MolWeight> (818)
269.68604

>  <Item Name> (818)
L-NAME HCl

>  <Catalog Number> (818)
S2877

>  <Synonyms> (818)
N/A

>  <Target> (818)
NOS

>  <Form> (818)
Hydrochloride

>  <URL> (818)
http://www.selleckchem.com/products/l-name-hcl.html

>  <CAS Number> (818)
51298-62-5

$$$$
Ambroxol HCl.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
    9.1000    3.4385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4000    2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.4385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0000    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.4385    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0758    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2261    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.2261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1452    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  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
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 10 17  1  0  0  0  0
  8  9  1  0  0  0  0
  7  8  1  0  0  0  0
  4  7  1  6  0  0  0
  1 18  1  1  0  0  0
M  END
>  <Mol_ID> (819)
1344

>  <Formula> (819)
C13H19Br2ClN2O

>  <MolWeight> (819)
414.56376

>  <Item Name> (819)
Ambroxol HCl

>  <Catalog Number> (819)
S3064

>  <Synonyms> (819)
N/A

>  <Target> (819)
Sodium Channel

>  <Form> (819)
Hydrochloride

>  <URL> (819)
http://www.selleckchem.com/products/ambroxol-hcl.html

>  <CAS Number> (819)
23828-92-4

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  3  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  2  0  0  0  0
 10 17  2  0  0  0  0
 11 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 14 19  1  0  0  0  0
  9 15  1  0  0  0  0
  3  9  1  0  0  0  0
 23 25  1  1  0  0  0
M  END
>  <Mol_ID> (820)
1348

>  <Formula> (820)
C18H21N5O2

>  <MolWeight> (820)
339.39164

>  <Item Name> (820)
Alogliptin

>  <Catalog Number> (820)
S5365

>  <CAS Number> (820)
850649-61-5

$$$$
Indacaterol Maleate.cdx
csChFnd80/10101813202D

 37 39  0  0  0  0  0  0  0  0999 V2000
   12.4779    6.5090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    7.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    6.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    4.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    2.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6904    4.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    5.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655    8.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9028    5.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    2.3090    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8406    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0531    0.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6282    2.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    2.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2694    4.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1165    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    4.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3289    5.5830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5371    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3247    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5329    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
  2 11  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  1  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  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
 17 25  1  0  0  0  0
 20 25  2  0  0  0  0
 26 27  1  0  0  0  0
 23 26  1  0  0  0  0
 28 29  1  0  0  0  0
 22 28  1  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
  6 13  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
M  END
>  <Mol_ID> (821)
1349

>  <Formula> (821)
C28H32N2O7

>  <MolWeight> (821)
508.56288

>  <Item Name> (821)
Indacaterol Maleate

>  <Catalog Number> (821)
S3083

>  <Synonyms> (821)
N/A

>  <Target> (821)
Adrenergic Receptor

>  <Form> (821)
Maleate

>  <URL> (821)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (821)
753498-25-8

$$$$
Hygromycin B.cdx
csChFnd80/10101813202D

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    6.4856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    7.1856    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    8.5856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.2856    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   10.6808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.0905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.4881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.0929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6180    4.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    3.0122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7973    2.2933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0206    2.9741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0426    4.3740    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3451    2.5206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1857    3.6402    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3451    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3770    2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1799    3.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7754    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2049    5.7596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7206    1.7617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8758    2.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2758    2.4221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9856    3.6402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8758    4.8583    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1733    6.0637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    6.0679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3808    3.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9709    1.2125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.3660    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2709    0.0056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9954    5.8333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5758    1.2097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  6  0  0  0
  2  8  1  6  0  0  0
  5  9  1  1  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 14 21  1  1  0  0  0
 21 22  1  0  0  0  0
 15 23  1  1  0  0  0
 17 24  1  6  0  0  0
 16 25  1  6  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 19  1  0  0  0  0
 30 31  1  6  0  0  0
 29 32  1  1  0  0  0
 28 33  1  1  0  0  0
 27 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  6  0  0  0
  4 38  1  1  0  0  0
 27 39  1  6  0  0  0
  7 40  1  0  0  0  0
M  END
>  <Mol_ID> (822)
1351

>  <Formula> (822)
C20H37N3O13

>  <MolWeight> (822)
527.52008

>  <Item Name> (822)
Hygromycin B

>  <Catalog Number> (822)
S2908

>  <Synonyms> (822)
N/A

>  <Target> (822)
Antifection

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (822)
31282-04-9

$$$$
Betulinic acid.cdx
csChFnd80/10101813202D

 37 41  0  0  0  0  0  0  0  0999 V2000
    8.5250    6.2476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7513    5.5461    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3134    5.5461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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C30H48O3

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Betulinic acid

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S3603

>  <Target> (823)
N/A

>  <Form> (823)
Free Base

>  <URL> (823)
http://www.selleckchem.com/products/betulinic-acid.html

>  <CAS Number> (823)
472-15-1

$$$$
Pirfenidone.cdx
csChFnd80/10101813202D

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Pirfenidone

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N/A

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TGF-beta/Smad

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Free Base

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

>  <CAS Number> (824)
53179-13-8

$$$$
Tempol.cdx
csChFnd80/10101813202D

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2226-96-2

$$$$
SB 742457.cdx
csChFnd80/10101813202D

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1363

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S2894

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GSK-742457

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5-HT Receptor

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>  <URL> (826)
http://www.selleckchem.com/products/sb-742457.html

>  <CAS Number> (826)
607742-69-8

$$$$
S-Ruxolitinib.cdx
csChFnd80/10101813202D

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1368

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C17H18N6

>  <MolWeight> (827)
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>  <Item Name> (827)
S-Ruxolitinib

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>  <Synonyms> (827)
N/A

>  <Target> (827)
JAK

>  <Form> (827)
Free Base

>  <URL> (827)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (827)
941685-37-6

$$$$
Lumiracoxib.cdx
csChFnd80/10101813202D

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    7.2595    6.3583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
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  9 10  2  0  0  0  0
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 14  9  1  0  0  0  0
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  4 20  1  0  0  0  0
M  END
>  <Mol_ID> (828)
1369

>  <Formula> (828)
C15H13ClFNO2

>  <MolWeight> (828)
293.7206232

>  <Item Name> (828)
Lumiracoxib (COX-189)

>  <Catalog Number> (828)
S2903

>  <Synonyms> (828)
N/A

>  <Target> (828)
COX

>  <Form> (828)
Free Base

>  <URL> (828)
http://www.selleckchem.com/products/lumiracoxib-cox-189.html

>  <CAS Number> (828)
220991-20-8

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/10101813202D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.8951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    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
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  2  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (829)
1374

>  <Formula> (829)
C23H27Cl2N3O2

>  <MolWeight> (829)
448.38538

>  <Item Name> (829)
Aripiprazole (Abilify)

>  <Catalog Number> (829)
S1975

>  <Synonyms> (829)
N/A

>  <Target> (829)
5-HT Receptor

>  <Form> (829)
Free Base

>  <URL> (829)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (829)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4158    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0654    1.7378    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 12 11  1  1  0  0  0
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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> (830)
1375

>  <Formula> (830)
C18H20ClNOS

>  <MolWeight> (830)
333.8755

>  <Item Name> (830)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (830)
S2084

>  <Synonyms> (830)
N/A

>  <Target> (830)
5-HT Receptor

>  <Form> (830)
HCl

>  <URL> (830)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (830)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.8404    4.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0529    5.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    5.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.5014    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1240    3.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4197    3.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  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
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 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> (831)
1376

>  <Formula> (831)
C21H31N3O7S

>  <MolWeight> (831)
469.55174

>  <Item Name> (831)
Almotriptan malate (Axert)

>  <Catalog Number> (831)
S2096

>  <Synonyms> (831)
N/A

>  <Target> (831)
5-HT Receptor

>  <Form> (831)
Malate

>  <URL> (831)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (831)
181183-52-8

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.2123    4.9146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2123    3.5146    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4248    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    3.5146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6372    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7875    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668    3.5170    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
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  9 10  1  0  0  0  0
  2 10  1  1  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  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
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 17 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
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (832)
1379

>  <Formula> (832)
C19H21ClFNO3

>  <MolWeight> (832)
365.8263432

>  <Item Name> (832)
Paroxetine HCl

>  <Catalog Number> (832)
S3005

>  <Synonyms> (832)
N/A

>  <Target> (832)
5-HT Receptor

>  <Form> (832)
Hydrochloride

>  <URL> (832)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (832)
78246-49-8

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/10101813202D

 35 37  0  0  0  0  0  0  0  0999 V2000
    8.0762   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   14.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  3  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  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
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 25 19  1  0  0  0  0
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 29 23  1  0  0  0  0
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M  END
>  <Mol_ID> (833)
1381

>  <Formula> (833)
C27H37ClN2O5

>  <MolWeight> (833)
505.04608

>  <Item Name> (833)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (833)
S2086

>  <Synonyms> (833)
N/A

>  <Target> (833)
Adrenergic Receptor

>  <Form> (833)
HCl

>  <URL> (833)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (833)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
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   11.0027    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003    1.2082    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7979    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.8954    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
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M  END
>  <Mol_ID> (834)
1382

>  <Formula> (834)
C18H29NO3

>  <MolWeight> (834)
307.42776

>  <Item Name> (834)
Betaxolol (Betoptic)

>  <Catalog Number> (834)
S2091

>  <Synonyms> (834)
N/A

>  <Target> (834)
Adrenergic Receptor

>  <Form> (834)
Free Base

>  <URL> (834)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (834)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/10101813202D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.6322    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (835)
1383

>  <Formula> (835)
C12H15ClN2

>  <MolWeight> (835)
222.7139

>  <Item Name> (835)
Detomidine HCl

>  <Catalog Number> (835)
S2092

>  <Synonyms> (835)
N/A

>  <Target> (835)
Adrenergic Receptor

>  <Form> (835)
HCl

>  <URL> (835)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (835)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/10101813202D

 87 92  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (836)
1384

>  <Formula> (836)
C65H82N2O18S2

>  <MolWeight> (836)
1243.47918

>  <Item Name> (836)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (836)
S2113

>  <Synonyms> (836)
N/A

>  <Target> (836)
Adrenergic Receptor

>  <Form> (836)
Besylate

>  <URL> (836)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (836)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (837)
1385

>  <Formula> (837)
C15H23N3O4S

>  <MolWeight> (837)
341.42582

>  <Item Name> (837)
Levosulpiride (Levogastrol)

>  <Catalog Number> (837)
S2104

>  <Synonyms> (837)
N/A

>  <Target> (837)
Dopamine Receptor   

>  <Form> (837)
Free Base

>  <URL> (837)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (837)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  2  9  1  0  0  0  0
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M  END
>  <Mol_ID> (838)
1386

>  <Formula> (838)
C22H29NO5

>  <MolWeight> (838)
387.46936

>  <Item Name> (838)
Trimebutine

>  <Catalog Number> (838)
S2085

>  <Synonyms> (838)
N/A

>  <Target> (838)
Opioid Receptor

>  <Form> (838)
Free Base

>  <URL> (838)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (838)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/10101813202D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.4207    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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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 14  8  1  0  0  0  0
 11 15  1  6  0  0  0
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M  END
>  <Mol_ID> (839)
1387

>  <Formula> (839)
C20H24ClNO4

>  <MolWeight> (839)
377.86186

>  <Item Name> (839)
Naltrexone HCl

>  <Catalog Number> (839)
S2103

>  <Synonyms> (839)
N/A

>  <Target> (839)
Opioid Receptor

>  <Form> (839)
HCl

>  <URL> (839)
http://www.selleckchem.com/products/naltrexone-hcl.html

>  <CAS Number> (839)
16676-29-2

$$$$
Mozavaptan.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (840)
1388

>  <Formula> (840)
C27H29N3O2

>  <MolWeight> (840)
427.53806

>  <Item Name> (840)
Mozavaptan

>  <Catalog Number> (840)
S2920

>  <Synonyms> (840)
N/A

>  <Target> (840)
Others

>  <Form> (840)
Free Base

>  <URL> (840)
http://www.selleckchem.com/products/mozavaptan.html

>  <CAS Number> (840)
137975-06-5

$$$$
Dapivirine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (841)
1392

>  <Formula> (841)
C20H19N5

>  <MolWeight> (841)
329.39836

>  <Item Name> (841)
Dapivirine (TMC120)

>  <Catalog Number> (841)
S2914

>  <Synonyms> (841)
N/A

>  <Target> (841)
Reverse Transcriptase

>  <Form> (841)
Free Base

>  <URL> (841)
http://www.selleckchem.com/products/dapivirine.html

>  <CAS Number> (841)
244767-67-7

$$$$
icotinib.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (842)
1401

>  <Formula> (842)
C22H21N3O4

>  <MolWeight> (842)
391.41984

>  <Item Name> (842)
Icotinib

>  <Catalog Number> (842)
S2922

>  <Synonyms> (842)
BPI-2009H 

>  <Target> (842)
EGFR

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/icotinib.html

>  <CAS Number> (842)
610798-31-7

$$$$
TAK 715.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (843)
1402

>  <Formula> (843)
C24H21N3OS

>  <MolWeight> (843)
399.50804

>  <Item Name> (843)
TAK 715

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S2928

>  <Synonyms> (843)
N/A 

>  <Target> (843)
p38 MAPK

>  <Form> (843)
Free Base

>  <URL> (843)
http://www.selleckchem.com/products/tak-715.html

>  <CAS Number> (843)
303162-79-0

$$$$
Melatonin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (844)
1404

>  <Formula> (844)
C13H16N2O2

>  <MolWeight> (844)
232.27834

>  <Item Name> (844)
Melatonin

>  <Catalog Number> (844)
S1204

>  <Synonyms> (844)
Melatonex

>  <Target> (844)
MT Receptor

>  <Form> (844)
Free Base

>  <URL> (844)
http://www.selleckchem.com/products/Melatonin.html

>  <CAS Number> (844)
73-31-4

$$$$
Felbamate.cdx
csChFnd80/10101813202D

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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (845)
1405

>  <Formula> (845)
C11H14N2O4

>  <MolWeight> (845)
238.23986

>  <Item Name> (845)
Felbamate

>  <Catalog Number> (845)
S1330

>  <Synonyms> (845)
Felbatol

>  <Target> (845)
NMDAR

>  <Form> (845)
Free Base

>  <URL> (845)
http://www.selleckchem.com/products/Felbamate.html

>  <CAS Number> (845)
25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/10101813202D

 30 29  0  0  0  0  0  0  0  0999 V2000
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6992    1.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926    2.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9720    4.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9786    3.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    2.7046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3190    5.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6713    4.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2888    8.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411    7.9265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    6.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3558    6.2118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3457    7.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6513    4.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8679    5.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8679    6.7466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0846    4.6393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6513    3.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8637    2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8637    1.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0804    3.2368    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
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  2  0  0  0  0
 27 28  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (846)
1406

>  <Formula> (846)
C19H25F3N2O6

>  <MolWeight> (846)
434.4068096

>  <Item Name> (846)
Fluvoxamine maleate

>  <Catalog Number> (846)
S1336

>  <Synonyms> (846)
Luvox

>  <Target> (846)
5-HT Receptor

>  <Form> (846)
Maleate

>  <URL> (846)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (846)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.2370    2.4097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    2.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    4.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    3.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    5.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    3.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1484    1.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5328    0.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4057    1.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8942    3.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2891    5.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    1.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4175    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404    1.0485    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 15  2  0  0  0  0
 15  3  1  0  0  0  0
  4 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (847)
1407

>  <Formula> (847)
C15H12N2O2

>  <MolWeight> (847)
252.26798

>  <Item Name> (847)
Oxcarbazepine

>  <Catalog Number> (847)
S1391

>  <Synonyms> (847)
Trileptal

>  <Target> (847)
Sodium Channel

>  <Form> (847)
Free Base

>  <URL> (847)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (847)
28721-07-5

$$$$
Prazosin hydrochloride.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2620    6.9903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  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
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 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 16  1  0  0  0  0
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 22 24  2  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (848)
1410

>  <Formula> (848)
C19H22ClN5O4

>  <MolWeight> (848)
419.86208

>  <Item Name> (848)
Prazosin HCl

>  <Catalog Number> (848)
S1424

>  <Synonyms> (848)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (848)
Others

>  <Form> (848)
Hydrochloride

>  <URL> (848)
http://www.selleckchem.com/products/Prazosin-hydrochloride.html

>  <CAS Number> (848)
19237-84-4

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    2.5914    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0163    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0163    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2287    1.3976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4412    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4412    3.4976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2287    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6494    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8576    3.4976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (849)
1414

>  <Formula> (849)
C8H8Cl3N3O4S2

>  <MolWeight> (849)
380.65582

>  <Item Name> (849)
Trichlormethiazide (Achletin)

>  <Catalog Number> (849)
S1667

>  <Synonyms> (849)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (849)
Others

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (849)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.6322    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4735    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2653    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  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
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 13 15  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
M  END
>  <Mol_ID> (850)
1415

>  <Formula> (850)
C14H12O3S

>  <MolWeight> (850)
260.30828

>  <Item Name> (850)
Suprofen (Profenal)

>  <Catalog Number> (850)
S1761

>  <Synonyms> (850)
Profenal, Topalgic, Suprol

>  <Target> (850)
COX

>  <Form> (850)
Free Base

>  <URL> (850)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (850)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/10101813202D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.8488    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.9975    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7851    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5726    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 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  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (851)
1417

>  <Formula> (851)
C27H23N5O4

>  <MolWeight> (851)
481.50262

>  <Item Name> (851)
Pranlukast

>  <Catalog Number> (851)
S1829

>  <Synonyms> (851)
N/A

>  <Target> (851)
Others

>  <Form> (851)
Free Base

>  <URL> (851)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (851)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    1.3951    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    2.7951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5175    4.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9126    4.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6102    5.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    5.2116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  2 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  2  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  2  0  0  0  0
M  END
>  <Mol_ID> (852)
1418

>  <Formula> (852)
C15H13N3O3S

>  <MolWeight> (852)
315.34702

>  <Item Name> (852)
Oxfendazole

>  <Catalog Number> (852)
S1830

>  <Synonyms> (852)
N/A

>  <Target> (852)
Antifection

>  <Form> (852)
Free Base

>  <URL> (852)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (852)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.2115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7908    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9679    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    6.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3678    4.6342    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  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  1  0  0  0  0
  1 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
M  END
>  <Mol_ID> (853)
1419

>  <Formula> (853)
C9H9Cl2N5S

>  <MolWeight> (853)
290.17226

>  <Item Name> (853)
Tizanidine HCl

>  <Catalog Number> (853)
S1437

>  <Synonyms> (853)
Zanaflex, Sirdalud

>  <Target> (853)
Adrenergic Receptor

>  <Form> (853)
Hydrochloride

>  <URL> (853)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (853)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    6.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9999    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1770    8.8278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6081   10.1546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0081   10.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3705   11.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7705   11.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1328   12.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4851   12.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4952   14.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7805   13.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182   11.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5770    8.8278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 13  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
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 20 28  1  6  0  0  0
 19 18  1  0  0  0  0
 12 29  1  6  0  0  0
 13 30  1  1  0  0  0
 19 31  1  6  0  0  0
M  END
>  <Mol_ID> (854)
1421

>  <Formula> (854)
C27H44O2

>  <MolWeight> (854)
400.63706

>  <Item Name> (854)
Calcifediol

>  <Catalog Number> (854)
S1469

>  <Synonyms> (854)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (854)
Vitamin

>  <Form> (854)
Free Base

>  <URL> (854)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (854)
19356-17-3

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/10101813202D

 60 62  0  0  0  0  0  0  0  0999 V2000
    3.6459   10.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8644   11.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4334   11.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    9.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8582    8.4049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4333    8.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2831    8.4049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955    9.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955   10.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7121   11.2122    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7121   12.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955   13.3195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4955   14.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   12.6195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664   13.3219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8479   12.6163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6355   13.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706   10.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (855)
1422

>  <Formula> (855)
C43H75NO16

>  <MolWeight> (855)
862.0527

>  <Item Name> (855)
Erythromycin Ethylsuccinate

>  <Catalog Number> (855)
S4060

>  <Synonyms> (855)
N/A

>  <Target> (855)
Antifection

>  <Form> (855)
Free Base

>  <URL> (855)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (855)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (856)
1423

>  <Formula> (856)
C23H23N7O5

>  <MolWeight> (856)
477.47262

>  <Item Name> (856)
Pralatrexate(Folotyn)

>  <Catalog Number> (856)
S1497

>  <Synonyms> (856)
Folotyn

>  <Target> (856)
DHFR

>  <Form> (856)
Free Base

>  <URL> (856)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (856)
146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (857)
1424

>  <Formula> (857)
C20H34O5

>  <MolWeight> (857)
354.48096

>  <Item Name> (857)
Alprostadil(Caverject)

>  <Catalog Number> (857)
S1508

>  <Synonyms> (857)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (857)
Immunology & Inflammation related

>  <Form> (857)
Free Base

>  <URL> (857)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (857)
745-65-3

$$$$
DEPEN (penicillamine).cdx
csChFnd80/10101813202D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (858)
1426

>  <Formula> (858)
C5H11NO2S

>  <MolWeight> (858)
149.21134

>  <Item Name> (858)
Penicillamine (Cuprimine)

>  <Catalog Number> (858)
S1853

>  <Synonyms> (858)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (858)
Others

>  <Form> (858)
Free Base

>  <URL> (858)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (858)
52-67-5

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (859)
1427

>  <Formula> (859)
C19H29ClN2O4

>  <MolWeight> (859)
384.89756

>  <Item Name> (859)
Roxatidine acetate HCl

>  <Catalog Number> (859)
S1880

>  <Synonyms> (859)
N/A

>  <Target> (859)
Histamine Receptor

>  <Form> (859)
Hydrochloride

>  <URL> (859)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (859)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (860)
1428

>  <Formula> (860)
C9H12N2S

>  <MolWeight> (860)
180.26998

>  <Item Name> (860)
Protionamide (Prothionamide)

>  <Catalog Number> (860)
S1881

>  <Synonyms> (860)
N/A

>  <Target> (860)
Antifection

>  <Form> (860)
Free Base

>  <URL> (860)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (860)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (861)
1430

>  <Formula> (861)
C9H10N4O2S2

>  <MolWeight> (861)
270.3313

>  <Item Name> (861)
Sulfamethizole (Proklar)

>  <Catalog Number> (861)
S1957

>  <Synonyms> (861)
Proklar

>  <Target> (861)
Antifection

>  <Form> (861)
Free Base

>  <URL> (861)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (861)
144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (862)
1431

>  <Formula> (862)
C17H20N2O2

>  <MolWeight> (862)
284.3529

>  <Item Name> (862)
Tropicamide

>  <Catalog Number> (862)
S1913

>  <Synonyms> (862)
N/A

>  <Target> (862)
AChR

>  <Form> (862)
Free Base

>  <URL> (862)
http://www.selleckchem.com/products/tropicamide.html

>  <CAS Number> (862)
1508-75-4

$$$$
Sulbactam.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (863)
1432

>  <Formula> (863)
C8H11NO5S

>  <MolWeight> (863)
233.24164

>  <Item Name> (863)
Sulbactam

>  <Catalog Number> (863)
S1958

>  <Synonyms> (863)
N/A

>  <Target> (863)
Antifection

>  <Form> (863)
Free Base

>  <URL> (863)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (863)
68373-14-8

$$$$
Pranoprofen.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (864)
1433

>  <Formula> (864)
C15H13NO3

>  <MolWeight> (864)
255.26862

>  <Item Name> (864)
Pranoprofen

>  <Catalog Number> (864)
S1960

>  <Synonyms> (864)
N/A

>  <Target> (864)
COX

>  <Form> (864)
Free Base

>  <URL> (864)
http://www.selleckchem.com/products/pranoprofen.html

>  <CAS Number> (864)
52549-17-4

$$$$
Rimantadine.cdx
csChFnd80/10101813202D

 13 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (865)
1434

>  <Formula> (865)
C12H21N

>  <MolWeight> (865)
179.30184

>  <Item Name> (865)
Rimantadine (Flumadine)

>  <Catalog Number> (865)
S1964

>  <Synonyms> (865)
N/A

>  <Target> (865)
Antifection

>  <Form> (865)
Free Base

>  <URL> (865)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (865)
13392-28-4

$$$$
Meglumine.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
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    3.6415    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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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  4 10  1  6  0  0  0
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  7 13  1  1  0  0  0
M  END
>  <Mol_ID> (866)
1435

>  <Formula> (866)
C7H17NO5

>  <MolWeight> (866)
195.21358

>  <Item Name> (866)
Meglumine

>  <Catalog Number> (866)
S1974

>  <Synonyms> (866)
N/A

>  <Target> (866)
Others

>  <Form> (866)
Free Base

>  <URL> (866)
http://www.selleckchem.com/products/meglumine.html

>  <CAS Number> (866)
6284-40-8

$$$$
Diclazuril.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 10 16  1  0  0  0  0
 16 17  3  0  0  0  0
 14 18  1  0  0  0  0
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 24 25  2  0  0  0  0
 22 26  2  0  0  0  0
M  END
>  <Mol_ID> (867)
1437

>  <Formula> (867)
C17H9Cl3N4O2

>  <MolWeight> (867)
407.63796

>  <Item Name> (867)
Diclazuril

>  <Catalog Number> (867)
S2028

>  <Synonyms> (867)
N/A

>  <Target> (867)
Antifection

>  <Form> (867)
Free Base

>  <URL> (867)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (867)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
   10.1504    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1504    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5753    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3629    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9917    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5711    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7835    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4166    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2495    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.2495    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4620    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6744    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.4620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  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
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 14  9  1  0  0  0  0
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 18 19  1  0  0  0  0
 19  8  1  0  0  0  0
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 23 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (868)
1438

>  <Formula> (868)
C26H28Cl2F2N2

>  <MolWeight> (868)
477.4167264

>  <Item Name> (868)
Flunarizine 2HCl

>  <Catalog Number> (868)
S2030

>  <Synonyms> (868)
N/A

>  <Target> (868)
Calcium Channel

>  <Form> (868)
2HCl

>  <URL> (868)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (868)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/10101813202D

 34 36  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.9270    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (869)
1439

>  <Formula> (869)
C24H21Cl2N3O4S

>  <MolWeight> (869)
518.41224

>  <Item Name> (869)
Fenticonazole nitrate

>  <Catalog Number> (869)
S2031

>  <Synonyms> (869)
N/A

>  <Target> (869)
Antifection

>  <Form> (869)
Nitrate

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

>  <CAS Number> (869)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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 14 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 15  1  0  0  0  0
 12 20  2  0  0  0  0
  1 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  1  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (870)
1440

>  <Formula> (870)
C19H15ClN2O4

>  <MolWeight> (870)
370.7864

>  <Item Name> (870)
Rebamipide

>  <Catalog Number> (870)
S2032

>  <Synonyms> (870)
N/A

>  <Target> (870)
Others

>  <Form> (870)
Free Base

>  <URL> (870)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (870)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    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
    2.4207    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.6242    0.2576    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
  3 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
>  <Mol_ID> (871)
1441

>  <Formula> (871)
C14H21Br2ClN2

>  <MolWeight> (871)
412.59094

>  <Item Name> (871)
Bromhexine HCl

>  <Catalog Number> (871)
S2060

>  <Synonyms> (871)
N/A

>  <Target> (871)
Others

>  <Form> (871)
HCl

>  <URL> (871)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (871)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  6  0  0  0
  6 12  1  6  0  0  0
  5 13  1  1  0  0  0
 10 14  1  1  0  0  0
  9 15  1  1  0  0  0
 14 16  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 17  1  0  0  0  0
 24 28  2  0  0  0  0
 26 29  1  1  0  0  0
 20 30  1  1  0  0  0
 17 16  1  6  0  0  0
M  END
>  <Mol_ID> (872)
1442

>  <Formula> (872)
C24H36O5

>  <MolWeight> (872)
404.53964

>  <Item Name> (872)
Lovastatin (Mevacor)

>  <Catalog Number> (872)
S2061

>  <Synonyms> (872)
N/A

>  <Target> (872)
HMG-CoA Reductase

>  <Form> (872)
Free Base

>  <URL> (872)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (872)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (873)
1443

>  <Formula> (873)
C5H9NO3S

>  <MolWeight> (873)
163.19486

>  <Item Name> (873)
Tiopronin (Thiola)

>  <Catalog Number> (873)
S2062

>  <Synonyms> (873)
N/A

>  <Target> (873)
ROS

>  <Form> (873)
Free Base

>  <URL> (873)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (873)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8413    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.6076    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    1.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4051    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.5149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6911    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.8003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.7076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  0  0  0  0
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  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  5  1  0  0  0  0
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 16  1  1  0  0  0  0
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 10 24  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (874)
1445

>  <Formula> (874)
C20H24FN3O4

>  <MolWeight> (874)
389.4206632

>  <Item Name> (874)
Balofloxacin

>  <Catalog Number> (874)
S2064

>  <Synonyms> (874)
N/A

>  <Target> (874)
Topoisomerase

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (874)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
   13.0940    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0940    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3064    1.6785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5189    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5189    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3064    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3064    5.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0940    6.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0940    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8816    8.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6691    7.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6691    6.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8816    5.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8858    1.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6775    2.3785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2611    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    4.4761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    4.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    2.3810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    4.4737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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 13  8  1  0  0  0  0
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 14 15  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
>  <Mol_ID> (875)
1446

>  <Formula> (875)
C22H29N3O4S

>  <MolWeight> (875)
431.54836

>  <Item Name> (875)
Lafutidine

>  <Catalog Number> (875)
S2065

>  <Synonyms> (875)
N/A

>  <Target> (875)
Histamine Receptor

>  <Form> (875)
Free Base

>  <URL> (875)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (875)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    6.2001    2.1028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6 16  1  0  0  0  0
M  END
>  <Mol_ID> (876)
1447

>  <Formula> (876)
C9H12ClN5O

>  <MolWeight> (876)
241.67748

>  <Item Name> (876)
Moxonidine

>  <Catalog Number> (876)
S2066

>  <Synonyms> (876)
N/A

>  <Target> (876)
Others

>  <Form> (876)
Free Base

>  <URL> (876)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (876)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/10101813202D

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4618    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3031    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0907    9.0879    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
  2  4  2  0  0  0  0
  3  5  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
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 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
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 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 19  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 28 31  1  0  0  0  0
 16 32  1  1  0  0  0
 14 33  1  6  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
  8 36  1  6  0  0  0
M  END
>  <Mol_ID> (877)
1448

>  <Formula> (877)
C23H36N6O5S

>  <MolWeight> (877)
508.63414

>  <Item Name> (877)
Argatroban

>  <Catalog Number> (877)
S2069

>  <Synonyms> (877)
N/A

>  <Target> (877)
Thrombin

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (877)
74863-84-6

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.4017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    5.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.4993    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
  7 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 17 11  1  0  0  0  0
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 23 19  1  0  0  0  0
 23 24  2  0  0  0  0
 21 25  2  0  0  0  0
M  END
>  <Mol_ID> (878)
1450

>  <Formula> (878)
C18H20ClN3O3S

>  <MolWeight> (878)
393.8877

>  <Item Name> (878)
Rosiglitazone HCl

>  <Catalog Number> (878)
S2075

>  <Synonyms> (878)
N/A

>  <Target> (878)
PPAR

>  <Form> (878)
HCl

>  <URL> (878)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (878)
302543-62-0

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/10101813202D

 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
    0.0000    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8776    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    8.4955    2.8776    0.0000 C   0  0  2  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
  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
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
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M  END
>  <Mol_ID> (879)
1451

>  <Formula> (879)
C21H31N3O5

>  <MolWeight> (879)
405.48794

>  <Item Name> (879)
Lisinopril (Zestril)

>  <Catalog Number> (879)
S2076

>  <Synonyms> (879)
Prinivil

>  <Target> (879)
RAAS

>  <Form> (879)
Free Base

>  <URL> (879)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (879)
83915-83-7

$$$$
Atorvastatin calcium.cdx
csChFnd80/10101813202D

 83 88  0  0  0  0  0  0  0  0999 V2000
   19.4186    4.8013    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   18.7029    6.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.7909    7.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5719    9.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6598    9.9061    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.4408   11.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5288   12.1698    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3098   13.5526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3978   14.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1788   15.8163    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   18.7762    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (880)
1452

>  <Formula> (880)
C66H68CaF2N4O10

>  <MolWeight> (880)
1155.3417264

>  <Item Name> (880)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (880)
S2077

>  <Synonyms> (880)
N/A

>  <Target> (880)
HMG-CoA Reductase

>  <Form> (880)
Calcium 

>  <URL> (880)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (880)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (881)
1453

>  <Formula> (881)
C8H15N7O2S3

>  <MolWeight> (881)
337.4454

>  <Item Name> (881)
Famotidine (Pepcid)

>  <Catalog Number> (881)
S2078

>  <Synonyms> (881)
N/A

>  <Target> (881)
Histamine Receptor

>  <Form> (881)
Free Base

>  <URL> (881)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (881)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (882)
1454

>  <Formula> (882)
C27H35ClN2O7

>  <MolWeight> (882)
535.029

>  <Item Name> (882)
Moexipril HCl

>  <Catalog Number> (882)
S2079

>  <Synonyms> (882)
N/A

>  <Target> (882)
RAAS

>  <Form> (882)
Hydrochloride

>  <URL> (882)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (882)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/10101813202D

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   12.0949    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3073    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0792    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0792    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8646    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    7.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    6.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4428    5.5943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 11 20  1  0  0  0  0
  9  8  1  0  0  0  0
  8 21  2  0  0  0  0
 19 22  2  0  0  0  0
 15 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
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 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (883)
1455

>  <Formula> (883)
C21H23Cl2NO6

>  <MolWeight> (883)
456.31642

>  <Item Name> (883)
Clevidipine Butyrate

>  <Catalog Number> (883)
S2080

>  <Synonyms> (883)
N/A

>  <Target> (883)
Calcium Channel

>  <Form> (883)
Free Base

>  <URL> (883)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (883)
167221-71-8

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    9.1097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    8.4097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1301    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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  8  9  2  0  0  0  0
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  3 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  0  0  0  0
 15 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (884)
1457

>  <Formula> (884)
C20H26ClNO2

>  <MolWeight> (884)
347.87894

>  <Item Name> (884)
Adiphenine HCl

>  <Catalog Number> (884)
S2082

>  <Synonyms> (884)
N/A

>  <Target> (884)
AChR

>  <Form> (884)
HCl

>  <URL> (884)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (884)
50-42-0

$$$$
Fosinopril sodium.cdx
csChFnd80/10101813202D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.9951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3951   13.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   16.7822    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8116   16.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   18.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   16.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   18.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   18.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2280   18.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0495   12.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0495   14.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7180   14.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2869   11.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2205    9.9807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   10.9223   10.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 26 21  1  0  0  0  0
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 30 16  1  0  0  0  0
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 31 34  2  0  0  0  0
 29 35  1  6  0  0  0
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 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (885)
1461

>  <Formula> (885)
C30H45NNaO7P

>  <MolWeight> (885)
585.644331

>  <Item Name> (885)
Fosinopril sodium (Monopril)

>  <Catalog Number> (885)
S2095

>  <Synonyms> (885)
N/A

>  <Target> (885)
RAAS

>  <Form> (885)
Sodium Salt

>  <URL> (885)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (885)
88889-14-9

$$$$
Ambrisentan.cdx
csChFnd80/10101813202D

 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
    6.0538    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  6  2  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
  8 10  2  0  0  0  0
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 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  2  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> (886)
1462

>  <Formula> (886)
C22H22N2O4

>  <MolWeight> (886)
378.42108

>  <Item Name> (886)
Ambrisentan

>  <Catalog Number> (886)
S2097

>  <Synonyms> (886)
N/A

>  <Target> (886)
Endothelin Receptor

>  <Form> (886)
Free Base

>  <URL> (886)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (886)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    5.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    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
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  1  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  2  1  0  0  0  0
 11 12  2  0  0  0  0
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 13  4  1  0  0  0  0
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 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
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
  5 22  1  0  0  0  0
 13 23  2  0  0  0  0
 15 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (887)
1463

>  <Formula> (887)
C24H28O2

>  <MolWeight> (887)
348.47792

>  <Item Name> (887)
Bexarotene

>  <Catalog Number> (887)
S2098

>  <Synonyms> (887)
N/A

>  <Target> (887)
Retinoid Receptor

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (887)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/10101813202D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    4.7372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    4.0396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.1323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9606    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7720    6.8768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.9095    3.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2696    3.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6809    4.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2186    2.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5579    8.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7704    7.3295    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8108    8.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8490    9.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  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  1  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 10  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 16  1  0  0  0  0
 17 23  2  0  0  0  0
 18 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
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 28  2  0  0  0  0
M  END
>  <Mol_ID> (888)
1464

>  <Formula> (888)
C23H29ClN2O5S2

>  <MolWeight> (888)
513.06976

>  <Item Name> (888)
Temocapril HCl

>  <Catalog Number> (888)
S2099

>  <Synonyms> (888)
N/A

>  <Target> (888)
RAAS

>  <Form> (888)
Hydrochloride

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

>  <CAS Number> (888)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/10101813202D

 28 27  0  0  0  0  0  0  0  0999 V2000
   10.9161    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    5.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3495    7.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    8.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    8.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5619    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    6.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9868    5.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    6.1122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2840    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8791    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8791    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  4 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
 24 25  2  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (889)
1466

>  <Formula> (889)
C17H27N3O7S

>  <MolWeight> (889)
417.47718

>  <Item Name> (889)
Gabexate mesylate

>  <Catalog Number> (889)
S2101

>  <Synonyms> (889)
N/A

>  <Target> (889)
Proteasome

>  <Form> (889)
Mesylate

>  <URL> (889)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (889)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/10101813202D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7564    2.5326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  2  0  0  0  0
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 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (890)
1467

>  <Formula> (890)
C13H17NO3S

>  <MolWeight> (890)
267.34398

>  <Item Name> (890)
Rasagiline mesylate

>  <Catalog Number> (890)
S2102

>  <Synonyms> (890)
N/A

>  <Target> (890)
MAO

>  <Form> (890)
Mesylate

>  <URL> (890)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (890)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/10101813202D

 34 34  0  0  0  0  0  0  0  0999 V2000
    3.5000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.6808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000   11.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    9.8933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4000    7.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    6.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    9.1933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  2  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 17  1  0  0  0  0
 12 21  1  0  0  0  0
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  6  0  0  0
 24 26  1  0  0  0  0
 26 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
>  <Mol_ID> (891)
1469

>  <Formula> (891)
C21H28F3N3O7

>  <MolWeight> (891)
491.4581296

>  <Item Name> (891)
Flunixin meglumin

>  <Catalog Number> (891)
S2108

>  <Synonyms> (891)
N/A

>  <Target> (891)
COX

>  <Form> (891)
Meglumin

>  <URL> (891)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (891)
42461-84-7

$$$$
Vinpocetine.cdx
csChFnd80/10101813202D

 27 31  0  0  0  0  0  0  0  0999 V2000
    1.2044    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2044    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4169    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6293    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0558    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    3.5025    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4807    4.2025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4807    5.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2682    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4828    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    7.2682    4.8976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2682    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4807    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  6  2  0  0  0  0
  5  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  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  9  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 11  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 25  1  6  0  0  0
 16 26  1  6  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (892)
1470

>  <Formula> (892)
C22H26N2O2

>  <MolWeight> (892)
350.45404

>  <Item Name> (892)
Vinpocetine (Cavinton)

>  <Catalog Number> (892)
S2110

>  <Synonyms> (892)
N/A

>  <Target> (892)
Sodium Channel

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (892)
42971-09-5

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/10101813202D

 40 41  0  0  0  0  0  0  0  0999 V2000
    3.6289    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    1.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2081    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    3.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1165    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    4.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9100    1.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3009    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7009    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1770    5.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5935    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    4.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0183    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    7.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5935    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266    7.7442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4348    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6430    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8513    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0595    7.7442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2677    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0595    9.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2719    9.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4844    9.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6926    9.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4759    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6842    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8924    7.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7637    2.1394    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
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 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
 24 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
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (893)
1471

>  <Formula> (893)
C31H45ClN2O5S

>  <MolWeight> (893)
593.2174

>  <Item Name> (893)
Dronedarone HCl (Multaq)

>  <Catalog Number> (893)
S2114

>  <Synonyms> (893)
N/A

>  <Target> (893)
Potassium Channel,Sodium

>  <Form> (893)
HCl

>  <URL> (893)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (893)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/10101813202D

 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
    6.0580    6.5917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    3.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2643    3.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6021    4.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1135    5.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4135    6.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0292    6.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0029    5.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9527    2.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9790    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3168    1.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6283    3.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4829    5.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6293    7.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3503    7.6742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8375    7.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6012    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
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 15  4  1  0  0  0  0
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 18 19  2  0  0  0  0
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 21 16  1  0  0  0  0
  8 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  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 23  1  0  0  0  0
 25 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 26  1  0  0  0  0
 27 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 28  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
>  <Mol_ID> (894)
1472

>  <Formula> (894)
C32H27ClN4O2

>  <MolWeight> (894)
535.03538

>  <Item Name> (894)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (894)
S2116

>  <Synonyms> (894)
N/A

>  <Target> (894)
Vasopressin Receptor

>  <Form> (894)
HCl

>  <URL> (894)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (894)
168626-94-6

$$$$

csChFnd80/10101813202D

 60 59  0  0  0  0  0  0  0  0999 V2000
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   13.3368   10.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9597    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7473    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5348    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3224    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (895)
1473

>  <Formula> (895)
C44H76N4O10S2

>  <MolWeight> (895)
885.22504

>  <Item Name> (895)
Ibutilide fumarate

>  <Catalog Number> (895)
S2118

>  <Synonyms> (895)
N/A

>  <Target> (895)
Sodium Channel

>  <Form> (895)
Fumarate

>  <URL> (895)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (895)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (896)
1474

>  <Formula> (896)
C31H48O2S2

>  <MolWeight> (896)
516.84162

>  <Item Name> (896)
Probucol

>  <Catalog Number> (896)
S2119

>  <Synonyms> (896)
N/A

>  <Target> (896)
Others

>  <Form> (896)
Free Base

>  <URL> (896)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (896)
23288-49-5

$$$$
Arbidol hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (897)
1475

>  <Formula> (897)
C22H26BrClN2O3S

>  <MolWeight> (897)
513.87544

>  <Item Name> (897)
Arbidol HCl

>  <Catalog Number> (897)
S2120

>  <Synonyms> (897)
N/A

>  <Target> (897)
Antifection

>  <Form> (897)
Hydrochloride

>  <URL> (897)
http://www.selleckchem.com/products/Arbidol-hcl.html

>  <CAS Number> (897)
131707-23-8

$$$$
Levosimendan.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (898)
1479

>  <Formula> (898)
C14H12N6O

>  <MolWeight> (898)
280.28468

>  <Item Name> (898)
Levosimendan

>  <Catalog Number> (898)
S2446

>  <Synonyms> (898)
N/A

>  <Target> (898)
Calcium Channel

>  <Form> (898)
Free Base

>  <URL> (898)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (898)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/10101813202D

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    4.8455    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.0124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.0124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.4124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    3.5798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.7124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    5.8451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    1.2149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.1451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    6.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1455    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    7.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2448    3.5837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.6124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4563    7.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1563    6.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9395    8.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    9.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0271    7.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8355    0.2225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  5 22  1  1  0  0  0
 14 23  1  1  0  0  0
  9 24  1  1  0  0  0
  7 25  1  1  0  0  0
 12 26  1  1  0  0  0
 17 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 27 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 35  2  0  0  0  0
  7 36  1  0  0  0  0
M  END
>  <Mol_ID> (899)
1480

>  <Formula> (899)
C24H30F2O6

>  <MolWeight> (899)
452.4882064

>  <Item Name> (899)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (899)
S2470

>  <Synonyms> (899)
Flucort-N

>  <Target> (899)
Glucocorticoid Receptor

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (899)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    6.9660    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
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (900)
1481

>  <Formula> (900)
C18H23Cl2NO

>  <MolWeight> (900)
340.28732

>  <Item Name> (900)
Phenoxybenzamine HCl

>  <Catalog Number> (900)
S2499

>  <Synonyms> (900)
N/A

>  <Target> (900)
Androgen Receptor

>  <Form> (900)
HCl

>  <URL> (900)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (900)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 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
 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
M  END
>  <Mol_ID> (901)
1482

>  <Formula> (901)
C21H27NO3

>  <MolWeight> (901)
341.44398

>  <Item Name> (901)
Propafenone HCl

>  <Catalog Number> (901)
S2500

>  <Synonyms> (901)
Rythmol SR, Rytmonorm

>  <Target> (901)
Sodium Channel

>  <Form> (901)
Hydrochloride

>  <URL> (901)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (901)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/10101813202D

 58 60  0  0  0  0  0  0  0  0999 V2000
    6.0433   10.0886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0433    8.6886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2552    7.9886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2552   10.7916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6821    7.9886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8971    8.6886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8971   10.0886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6821   10.7916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2583    6.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.8916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6821    6.5886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2583   12.1916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6821   12.1916    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702   12.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702   14.2868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   14.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   14.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   14.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   14.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4634   10.0940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0534   11.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8350    7.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904   12.8891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4742    8.6867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    5.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1050    7.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3174    8.6904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6269    8.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    5.8886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2494    9.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    4.4900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5299    7.9904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.7423   10.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5299   10.7904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3174   10.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773    3.7900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773    2.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8897    1.6900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1022    2.3900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1022    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5299   12.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9505    7.9929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    1.6924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8870   11.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5299    6.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1588    8.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9505    6.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4545    2.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0921    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0921    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8897    0.2948    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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 12 23  1  1  0  0  0
  4 24  1  1  0  0  0
  1 25  1  1  0  0  0
 10 26  1  1  0  0  0
  2 27  1  6  0  0  0
 13 28  1  6  0  0  0
  5 29  1  6  0  0  0
 11 30  1  6  0  0  0
  6 31  1  6  0  0  0
 32 31  1  6  0  0  0
 27 33  1  0  0  0  0
  9 34  2  0  0  0  0
  7 35  1  0  0  0  0
 36 30  1  1  0  0  0
 32 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 32  1  0  0  0  0
 36 42  1  0  0  0  0
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 46 36  1  0  0  0  0
 40 47  1  6  0  0  0
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 37 51  1  1  0  0  0
 48 52  1  0  0  0  0
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 55 56  1  0  0  0  0
 44 57  1  1  0  0  0
  1 58  1  0  0  0  0
M  END
>  <Mol_ID> (902)
1483

>  <Formula> (902)
C41H76N2O15

>  <MolWeight> (902)
837.04654

>  <Item Name> (902)
Roxithromycin (Roxl-150)

>  <Catalog Number> (902)
S2506

>  <Synonyms> (902)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (902)
Antifection

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (902)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/10101813202D

 22 24  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
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    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8413    1.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6288    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 15 17  1  0  0  0  0
 12 18  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
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M  END
>  <Mol_ID> (903)
1484

>  <Formula> (903)
C13H11N3O4S2

>  <MolWeight> (903)
337.37414

>  <Item Name> (903)
Tenoxicam(Mobiflex)

>  <Catalog Number> (903)
S2512

>  <Synonyms> (903)
Mobiflex

>  <Target> (903)
COX

>  <Form> (903)
Free Base

>  <URL> (903)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (903)
59804-37-4

$$$$
Tobramycin.cdx
csChFnd80/10101813202D

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    4.8951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.7951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1202    4.8951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   12.1202    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    1.5827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4728    1.8052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1202    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  9  5  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 16  1  1  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 15  1  0  0  0  0
  6 21  1  1  0  0  0
  2 22  1  1  0  0  0
 15 23  1  1  0  0  0
 19 24  1  1  0  0  0
 17 25  1  1  0  0  0
  3 26  1  6  0  0  0
  5 27  1  6  0  0  0
  7 28  1  6  0  0  0
 11 29  1  6  0  0  0
 13 30  1  6  0  0  0
 20 31  1  6  0  0  0
 18 32  1  6  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
M  END
>  <Mol_ID> (904)
1485

>  <Formula> (904)
C18H37N5O9

>  <MolWeight> (904)
467.51448

>  <Item Name> (904)
Tobramycin

>  <Catalog Number> (904)
S2514

>  <Synonyms> (904)
N/A

>  <Target> (904)
Antifection

>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (904)
32986-56-4

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/10101813202D

107115  0  0  0  0  0  0  0  0999 V2000
    1.2082   18.0736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.8832   18.8757    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4626    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (905)
1487

>  <Formula> (905)
C66H76Cl3N9O24

>  <MolWeight> (905)
1485.71454

>  <Item Name> (905)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (905)
S2575

>  <Synonyms> (905)
N/A

>  <Target> (905)
Antifection

>  <Form> (905)
HCl

>  <URL> (905)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (905)
1404-93-9 

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    8.5410    4.0621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 18 14  2  0  0  0  0
M  END
>  <Mol_ID> (906)
1488

>  <Formula> (906)
C16H25ClN2

>  <MolWeight> (906)
280.8361

>  <Item Name> (906)
Xylometazoline HCl

>  <Catalog Number> (906)
S2576

>  <Synonyms> (906)
N/A

>  <Target> (906)
Adrenergic Receptor

>  <Form> (906)
HCl

>  <URL> (906)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (906)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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 15 10  1  0  0  0  0
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 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (907)
1490

>  <Formula> (907)
C19H19N3O6

>  <MolWeight> (907)
385.37066

>  <Item Name> (907)
Nilvadipine (ARC029)

>  <Catalog Number> (907)
S2721

>  <Synonyms> (907)
N/A

>  <Target> (907)
Calcium Channel

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (907)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
    8.6061    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  8  9  2  0  0  0  0
  1  9  1  0  0  0  0
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 10 11  2  0  0  0  0
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 17 18  1  0  0  0  0
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M  END
>  <Mol_ID> (908)
1491

>  <Formula> (908)
C10H11N4NaO5S

>  <MolWeight> (908)
322.27291

>  <Item Name> (908)
Carbazochrome sodium sulfonate

>  <Catalog Number> (908)
S3000

>  <Synonyms> (908)
N/A

>  <Target> (908)
Others

>  <Form> (908)
Sodium

>  <URL> (908)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (908)
51460-26-5

$$$$
Clevudine.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1203    3.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    4.6637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  5  1  6  0  0  0
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M  END
>  <Mol_ID> (909)
1492

>  <Formula> (909)
C10H13FN2O5

>  <MolWeight> (909)
260.2190232

>  <Item Name> (909)
Clevudine (Levovir)

>  <Catalog Number> (909)
S3001

>  <Synonyms> (909)
N/A

>  <Target> (909)
Others

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (909)
163252-36-6

$$$$
RELENZA (zanamivir).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (910)
1493

>  <Formula> (910)
C12H20N4O7

>  <MolWeight> (910)
332.3098

>  <Item Name> (910)
Zanamivir (Relenza)

>  <Catalog Number> (910)
S3007

>  <Synonyms> (910)
139110-80-8

>  <Target> (910)
Antifection

>  <Form> (910)
Free Base

>  <URL> (910)
http://www.selleckchem.com/products/zanamivir-relenza.html

>  <CAS Number> (910)
139110-80-8

$$$$
Zaltoprofen.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (911)
1494

>  <Formula> (911)
C17H14O3S

>  <MolWeight> (911)
298.35626

>  <Item Name> (911)
Zaltoprofen

>  <Catalog Number> (911)
S3008

>  <Synonyms> (911)
N/A

>  <Target> (911)
COX

>  <Form> (911)
Free Base

>  <URL> (911)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (911)
74711-43-6

$$$$
aspirin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (912)
1497

>  <Formula> (912)
C9H8O4

>  <MolWeight> (912)
180.15742

>  <Item Name> (912)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (912)
S3017

>  <Synonyms> (912)
N/A

>  <Target> (912)
COX

>  <Form> (912)
Free Base

>  <URL> (912)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (912)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (913)
1498

>  <Formula> (913)
C13H9F3N2O2

>  <MolWeight> (913)
282.2179696

>  <Item Name> (913)
Niflumic acid

>  <Catalog Number> (913)
S3018

>  <Synonyms> (913)
N/A

>  <Target> (913)
GABA Receptor

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (913)
4394-00-7

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (914)
1501

>  <Formula> (914)
C25H35N3O6S

>  <MolWeight> (914)
505.6269

>  <Item Name> (914)
Amprenavir (Agenerase)

>  <Catalog Number> (914)
S1639

>  <Synonyms> (914)
Agenerase

>  <Target> (914)
HIV Protease

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (914)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/10101813202D

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   22.6052    3.9423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (915)
1502

>  <Formula> (915)
C29H43N3O8S

>  <MolWeight> (915)
593.73202

>  <Item Name> (915)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (915)
S1620

>  <Synonyms> (915)
Prezista, TMC114

>  <Target> (915)
HIV Protease

>  <Form> (915)
Ethanolate

>  <URL> (915)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (915)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/10101813202D

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (916)
1503

>  <Formula> (916)
C16H27ClN2O3

>  <MolWeight> (916)
330.85018

>  <Item Name> (916)
Proparacaine HCl

>  <Catalog Number> (916)
S1828

>  <Synonyms> (916)
N/A

>  <Target> (916)
Sodium Channel

>  <Form> (916)
Hydrochloride

>  <URL> (916)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (916)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.9879    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
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
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 11  4  1  0  0  0  0
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 28  1  1  0  0  0  0
M  END
>  <Mol_ID> (917)
1504

>  <Formula> (917)
C18H14N4O5S

>  <MolWeight> (917)
398.39256

>  <Item Name> (917)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (917)
S1576

>  <Synonyms> (917)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (917)
COX,NF-¦ÊB

>  <Form> (917)
Free Base

>  <URL> (917)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (917)
599-79-1

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/10101813202D

 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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  5  7  1  0  0  0  0
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  8 10  2  0  0  0  0
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 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (918)
1506

>  <Formula> (918)
C11H11N3O2S

>  <MolWeight> (918)
249.28894

>  <Item Name> (918)
Sulfapyridine (Dagenan)

>  <Catalog Number> (918)
S1617

>  <Synonyms> (918)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (918)
Antifection

>  <Form> (918)
Free Base

>  <URL> (918)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (918)
144-83-2

$$$$
GSK2636771.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
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$$$$
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Sparfloxacin

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S1884

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N/A

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Antifection

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Free Base

>  <URL> (923)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (923)
110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/10101813202D

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1523

>  <Formula> (924)
C19H17NOS

>  <MolWeight> (924)
307.40938

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Tolnaftate

>  <Catalog Number> (924)
S2058

>  <Synonyms> (924)
N/A

>  <Target> (924)
Antifection

>  <Form> (924)
Free Base

>  <URL> (924)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (924)
2398-96-1

$$$$
Arecoline hydrobromide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (925)
1525

>  <Formula> (925)
C8H14BrNO2

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236.10626

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Arecoline HBr

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S2614

>  <Synonyms> (925)
N/A

>  <Target> (925)
AChR

>  <Form> (925)
HBr

>  <URL> (925)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (925)
300-08-3 

$$$$
OSI-906.cdx
csChFnd80/10101813202D

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1529

>  <Formula> (926)
C26H23N5O

>  <MolWeight> (926)
421.49372

>  <Item Name> (926)
OSI-906 (Linsitinib)

>  <Catalog Number> (926)
S1091

>  <Synonyms> (926)
N/A

>  <Target> (926)
IGF-1R

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/OSI-906.html

>  <CAS Number> (926)
867160-71-2

$$$$
aicar.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (927)
1530

>  <Formula> (927)
C9H14N4O5

>  <MolWeight> (927)
258.23126

>  <Item Name> (927)
AICAR (Acadesine)

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S1802

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AICAR, AICA-riboside

>  <Target> (927)
AMPK

>  <Form> (927)
Free Base

>  <URL> (927)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (927)
2627-69-2

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/10101813202D

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1532

>  <Formula> (928)
C40H53N7O5S2

>  <MolWeight> (928)
776.02272

>  <Item Name> (928)
Cobicistat (GS-9350)

>  <Catalog Number> (928)
S2900

>  <Synonyms> (928)
N/A

>  <Target> (928)
P450 (e.g. CYP17)

>  <Form> (928)
Free Base

>  <URL> (928)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (928)
1004316-88-4

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (929)
1533

>  <Formula> (929)
C25H26Cl3N7O

>  <MolWeight> (929)
546.87924

>  <Item Name> (929)
CP-945598 HCl

>  <Catalog Number> (929)
S8012

>  <Synonyms> (929)
N/A

>  <Target> (929)
Cannabinoid Receptor

>  <Form> (929)
Hydrochloride

>  <URL> (929)
http://www.selleckchem.com/products/cp-945598-hcl.html

>  <CAS Number> (929)
686347-12-6

$$$$
TAK-438.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (930)
1535

>  <Formula> (930)
C21H20FN3O6S

>  <MolWeight> (930)
461.4634032

>  <Item Name> (930)
Vonoprazan Fumarate (TAK-438)

>  <Catalog Number> (930)
S8016

>  <Synonyms> (930)
N/A

>  <Target> (930)
Potassium Channel

>  <Form> (930)
Fumarate

>  <URL> (930)
http://www.selleckchem.com/products/tak-438.html

>  <CAS Number> (930)
1260141-27-2

$$$$
Pergolide mesylate salt.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (931)
1536

>  <Formula> (931)
C20H30N2O3S2

>  <MolWeight> (931)
410.5938

>  <Item Name> (931)
Pergolide mesylate

>  <Catalog Number> (931)
S4000

>  <Synonyms> (931)
N/A

>  <Target> (931)
Dopamine Receptor

>  <Form> (931)
Mesylate

>  <URL> (931)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (931)
66104-23-2

$$$$
Lu AA21004(vortioxetine).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (932)
1538

>  <Formula> (932)
C18H23BrN2S

>  <MolWeight> (932)
379.35762

>  <Item Name> (932)
Vortioxetine (Lu AA21004) hydrobromide

>  <Catalog Number> (932)
S8021

>  <Synonyms> (932)
N/A

>  <Target> (932)
5-HT Receptor

>  <Form> (932)
Hydrobromide

>  <URL> (932)
http://www.selleckchem.com/products/vortioxetine-lu-aa21004-hydrobromide.html

>  <CAS Number> (932)
960203-27-4

$$$$
PRX-08066 maleate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (933)
1540

>  <Formula> (933)
C23H21ClFN5O4S

>  <MolWeight> (933)
517.9603432

>  <Item Name> (933)
PRX-08066 Maleic acid

>  <Catalog Number> (933)
S8010

>  <Synonyms> (933)
N/A

>  <Target> (933)
5-HT Receptor

>  <Form> (933)
Maleate

>  <URL> (933)
http://www.selleckchem.com/products/prx-08066.html

>  <CAS Number> (933)
866206-55-5

$$$$
AZD5363.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (934)
1541

>  <Formula> (934)
C21H25ClN6O2

>  <MolWeight> (934)
428.9152

>  <Item Name> (934)
AZD5363

>  <Catalog Number> (934)
S8019

>  <Synonyms> (934)
N/A

>  <Target> (934)
Akt

>  <Form> (934)
Free Base

>  <URL> (934)
http://www.selleckchem.com/products/azd5363.html

>  <CAS Number> (934)
1143532-39-1

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/10101813202D

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 10  2  1  0  0  0  0
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 34 29  1  0  0  0  0
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 36 37  1  0  0  0  0
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 39 40  1  0  0  0  0
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 42 45  2  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <Mol_ID> (935)
1545

>  <Formula> (935)
C32H30FN3O10

>  <MolWeight> (935)
635.5931032

>  <Item Name> (935)
Cabozantinib malate

>  <Catalog Number> (935)
S4001

>  <Synonyms> (935)
N/A

>  <Target> (935)
VEGFR

>  <Form> (935)
Malate

>  <URL> (935)
http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (935)
1140909-48-3

$$$$
acebutolol hydrochloride.cdx
csChFnd80/10101813202D

 25 24  0  0  0  0  0  0  0  0999 V2000
    8.4871    4.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2458    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 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
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 12 14  1  0  0  0  0
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 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (936)
1552

>  <Formula> (936)
C18H29ClN2O4

>  <MolWeight> (936)
372.88686

>  <Item Name> (936)
Acebutolol HCl

>  <Catalog Number> (936)
S4010

>  <Synonyms> (936)
N/A

>  <Target> (936)
Adrenergic Receptor

>  <Form> (936)
Hydrochloride

>  <URL> (936)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (936)
34381-68-5

$$$$
Ampiroxicam.cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.2715    3.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    3.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    5.2560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    3.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    1.7573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    3.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834    5.9557    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2723    1.0764    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.7016    1.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    3.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1675    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4289    3.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2147    3.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    5.2955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9083    7.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6959    9.4560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    5.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1207    8.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3332    7.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 10 19  2  0  0  0  0
 11 20  2  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
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 22 25  1  0  0  0  0
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 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (937)
1553

>  <Formula> (937)
C20H21N3O7S

>  <MolWeight> (937)
447.46164

>  <Item Name> (937)
Ampiroxicam

>  <Catalog Number> (937)
S4011

>  <Synonyms> (937)
N/A

>  <Target> (937)
COX

>  <Form> (937)
Free Base

>  <URL> (937)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (937)
99464-64-9

$$$$
Mirabegron.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
   18.4898    2.3834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1898    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2531    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1204    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  1  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
    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5822    1.0246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  4  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  1  0  0  0  0
 19 20  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
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 20 27  1  1  0  0  0
 18 19  1  0  0  0  0
 17 18  1  0  0  0  0
 13 16  1  0  0  0  0
  9 10  1  0  0  0  0
  2 28  1  0  0  0  0
M  END
>  <Mol_ID> (938)
1557

>  <Formula> (938)
C21H24N4O2S

>  <MolWeight> (938)
396.50586

>  <Item Name> (938)
Mirabegron (YM178)

>  <Catalog Number> (938)
S4009

>  <Synonyms> (938)
N/A

>  <Target> (938)
Adrenergic Receptor

>  <Form> (938)
Free Base

>  <URL> (938)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (938)
223673-61-8

$$$$
Pemirolast potassium.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.8493    3.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0618    4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295    4.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2740    3.7345    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.2107    5.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    3.5579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6295    5.6559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6308    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1714    4.7264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4649    5.8696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4217    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1914    2.2957    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (939)
1559

>  <Formula> (939)
C10H7KN6O

>  <MolWeight> (939)
266.30048

>  <Item Name> (939)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (939)
S4008

>  <Synonyms> (939)
TWT-8152

>  <Target> (939)
Histamine Receptor

>  <Form> (939)
Potassium

>  <URL> (939)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (939)
100299-08-9

$$$$
Sodium Fluorophosphate.cdx
csChFnd80/10101813202D

  7  4  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (940)
1561

>  <Formula> (940)
FNa2O3P

>  <MolWeight> (940)
143.9499042

>  <Item Name> (940)
Sodium Monofluorophosphate

>  <Catalog Number> (940)
S4013

>  <Synonyms> (940)
Sodium Fluorophosphate

>  <Target> (940)
Others
phosphatase

>  <Form> (940)
Disodium salt

>  <URL> (940)
http://www.selleckchem.com/products/sodium-monofluorophosphate.html

>  <CAS Number> (940)
10163-15-2

$$$$
Hyoscyamine (L).cdx
csChFnd80/10101813202D

 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> (941)
1562

>  <Formula> (941)
C17H23NO3

>  <MolWeight> (941)
289.36942

>  <Item Name> (941)
Hyoscyamine (Daturine)

>  <Catalog Number> (941)
S4014

>  <Synonyms> (941)
N/A

>  <Target> (941)
AChR

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (941)
101-31-5

$$$$
IPI-145.cdx
csChFnd80/10101813202D

 30 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (942)
1563

>  <Formula> (942)
C22H17ClN6O

>  <MolWeight> (942)
416.86298

>  <Item Name> (942)
Duvelisib (IPI-145, INK1197)

>  <Catalog Number> (942)
S7028

>  <Synonyms> (942)
N/A

>  <Target> (942)
PI3K

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (942)
1201438-56-3

$$$$
Avanafil.cdx
csChFnd80/10101813202D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (943)
1568

>  <Formula> (943)
C23H26ClN7O3

>  <MolWeight> (943)
483.95064

>  <Item Name> (943)
Avanafil

>  <Catalog Number> (943)
S4019

>  <Synonyms> (943)
N/A

>  <Target> (943)
PDE

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (943)
330784-47-9

$$$$
BENEMID (probenecid).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (944)
1570

>  <Formula> (944)
C13H19NO4S

>  <MolWeight> (944)
285.35926

>  <Item Name> (944)
Probenecid (Benemid) 

>  <Catalog Number> (944)
S4022

>  <Synonyms> (944)
Probalan

>  <Target> (944)
TRPV

>  <Form> (944)
Free Base

>  <URL> (944)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (944)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/10101813202D

 18 17  0  0  0  0  0  0  0  0999 V2000
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    9.6993    4.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5179    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (945)
1571

>  <Formula> (945)
C13H21ClN2O2

>  <MolWeight> (945)
272.77104

>  <Item Name> (945)
Procaine (Novocaine) HCl

>  <Catalog Number> (945)
S4023

>  <Synonyms> (945)
N/A

>  <Target> (945)
Sodium Channel

>  <Form> (945)
HCl

>  <URL> (945)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (945)
51-05-8

$$$$
sennoside A.cdx
csChFnd80/10101813202D

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   10.9217   15.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3416    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4289    6.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (946)
1572

>  <Formula> (946)
C42H38O20

>  <MolWeight> (946)
862.73912

>  <Item Name> (946)
Sennoside A

>  <Catalog Number> (946)
S4033

>  <Synonyms> (946)
N/A

>  <Target> (946)
Others

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/sennoside-a.html

>  <CAS Number> (946)
81-27-6

$$$$
Sodium picosulfate.cdx
csChFnd80/10101813202D

 31 31  0  0  0  0  0  0  0  0999 V2000
    8.2605    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2605    4.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (947)
1574

>  <Formula> (947)
C18H13NNa2O8S2

>  <MolWeight> (947)
481.40726

>  <Item Name> (947)
Sodium Picosulfate

>  <Catalog Number> (947)
S4020

>  <Synonyms> (947)
Sodium Picosulphate

>  <Target> (947)
Others

>  <Form> (947)
Sodium Salt

>  <URL> (947)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (947)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 O   0  5  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> (948)
1575

>  <Formula> (948)
C14H11NO5

>  <MolWeight> (948)
273.24084

>  <Item Name> (948)
Tolcapone

>  <Catalog Number> (948)
S4021

>  <Synonyms> (948)
N/A

>  <Target> (948)
Transferase

>  <Form> (948)
Free Base

>  <URL> (948)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (948)
134308-13-7

$$$$
methazolamide.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (949)
1578

>  <Formula> (949)
C5H8N4O3S2

>  <MolWeight> (949)
236.27202

>  <Item Name> (949)
Methazolamide

>  <Catalog Number> (949)
S4039

>  <Synonyms> (949)
N/A

>  <Target> (949)
Carbonic Anhydrase

>  <Form> (949)
Free Base

>  <URL> (949)
http://www.selleckchem.com/products/methazolamide.html

>  <CAS Number> (949)
554-57-4

$$$$
SN-38.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (950)
1581

>  <Formula> (950)
C22H20N2O5

>  <MolWeight> (950)
392.4046

>  <Item Name> (950)
SN-38

>  <Catalog Number> (950)
S4908

>  <Synonyms> (950)
N/A

>  <Target> (950)
Topoisomerase

>  <Form> (950)
Free Base

>  <URL> (950)
http://www.selleckchem.com/products/sn-38.html

>  <CAS Number> (950)
86639-52-3

$$$$
Nabumetone.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (951)
1583

>  <Formula> (951)
C15H16O2

>  <MolWeight> (951)
228.28634

>  <Item Name> (951)
Nabumetone

>  <Catalog Number> (951)
S4051

>  <Synonyms> (951)
Arthaxan, Relafen

>  <Target> (951)
COX

>  <Form> (951)
Free Base

>  <URL> (951)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (951)
42924-53-8

$$$$
netilmicin sulfate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (952)
1584

>  <Formula> (952)
C42H92N10O34S5

>  <MolWeight> (952)
1441.55148

>  <Item Name> (952)
Netilmicin Sulfate

>  <Catalog Number> (952)
S4052

>  <Synonyms> (952)
N/A

>  <Target> (952)
Antifection

>  <Form> (952)
Sulfate

>  <URL> (952)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (952)
7664-93-9

$$$$
sertraline hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (953)
1585

>  <Formula> (953)
C17H18Cl3N

>  <MolWeight> (953)
342.69052

>  <Item Name> (953)
Sertraline HCl

>  <Catalog Number> (953)
S4053

>  <Synonyms> (953)
N/A

>  <Target> (953)
5-HT Receptor

>  <Form> (953)
HCl

>  <URL> (953)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (953)
79559-97-0

$$$$
ABT-199.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (954)
1586

>  <Formula> (954)
C45H50ClN7O7S

>  <MolWeight> (954)
868.4392

>  <Item Name> (954)
Venetoclax (ABT-199, GDC-0199)

>  <Catalog Number> (954)
S8048

>  <Synonyms> (954)
N/A

>  <Target> (954)
Bcl-2

>  <Form> (954)
Free Base

>  <URL> (954)
http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (954)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (955)
1587

>  <Formula> (955)
C42H56F2N8O6

>  <MolWeight> (955)
806.9408464

>  <Item Name> (955)
Birinapant (TL32711)

>  <Catalog Number> (955)
S7015

>  <Synonyms> (955)
N/A

>  <Target> (955)
Caspase

>  <Form> (955)
Free Base

>  <URL> (955)
http://www.selleckchem.com/products/birinapant-tl32711.html

>  <CAS Number> (955)
1260251-31-7

$$$$
Oprozomib (ONX 0912).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (956)
1593

>  <Formula> (956)
C25H32N4O7S

>  <MolWeight> (956)
532.60918

>  <Item Name> (956)
Oprozomib (ONX 0912)

>  <Catalog Number> (956)
S7049

>  <Synonyms> (956)
N/A

>  <Target> (956)
Proteasome

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/oprozomib-onx-0912.html

>  <CAS Number> (956)
935888-69-0

$$$$
VX661.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (957)
1594

>  <Formula> (957)
C26H27F3N2O6

>  <MolWeight> (957)
520.4975896

>  <Item Name> (957)
VX-661

>  <Catalog Number> (957)
S7059

>  <Synonyms> (957)
N/A

>  <Target> (957)
CFTR

>  <Form> (957)
Free Base

>  <URL> (957)
http://www.selleckchem.com/products/vx-661.html

>  <CAS Number> (957)
1152311-62-0

$$$$
methyclothiazide.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (958)
1595

>  <Formula> (958)
C9H11Cl2N3O4S2

>  <MolWeight> (958)
360.23734

>  <Item Name> (958)
Methyclothiazide

>  <Catalog Number> (958)
S4057

>  <Synonyms> (958)
N/A

>  <Target> (958)
Others

>  <Form> (958)
Free Base

>  <URL> (958)
http://www.selleckchem.com/products/methyclothiazide.html

>  <CAS Number> (958)
135-07-9

$$$$
retapamulin.cdx
csChFnd80/10101813202D

 39 43  0  0  0  0  0  0  0  0999 V2000
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   12.2278    7.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1485    8.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1024    6.0148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (959)
1596

>  <Formula> (959)
C30H47NO4S

>  <MolWeight> (959)
517.76348

>  <Item Name> (959)
Retapamulin

>  <Catalog Number> (959)
S4056

>  <Synonyms> (959)
N/A

>  <Target> (959)
Antifection

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (959)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4119    6.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9038    0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (960)
1597

>  <Formula> (960)
C6H8N4O4

>  <MolWeight> (960)
200.15212

>  <Item Name> (960)
Ronidazole

>  <Catalog Number> (960)
S4062

>  <Synonyms> (960)
N/A

>  <Target> (960)
Antifection

>  <Form> (960)
Free Base

>  <URL> (960)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (960)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (961)
1598

>  <Formula> (961)
C17H27ClN2O

>  <MolWeight> (961)
310.86208

>  <Item Name> (961)
Ropivacaine HCl

>  <Catalog Number> (961)
S4058

>  <Synonyms> (961)
N/A

>  <Target> (961)
Sodium Channel

>  <Form> (961)
HCl

>  <URL> (961)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (961)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (962)
1599

>  <Formula> (962)
C27H44O

>  <MolWeight> (962)
384.63766

>  <Item Name> (962)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (962)
S4063

>  <Synonyms> (962)
N/A

>  <Target> (962)
Vitamin

>  <Form> (962)
Free Base

>  <URL> (962)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (962)
67-97-0

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (963)
1600

>  <Formula> (963)
C23H27ClO7

>  <MolWeight> (963)
450.90928

>  <Item Name> (963)
Empagliflozin (BI10773)

>  <Catalog Number> (963)
S8022

>  <Synonyms> (963)
N/A

>  <Target> (963)
SGLT

>  <Form> (963)
Free Base

>  <URL> (963)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

>  <CAS Number> (963)
864070-44-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 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
    5.8901    3.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216    2.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2620    3.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8901    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    5.5947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2901    6.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216    5.1621    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4445    6.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6216    7.4273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6570    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3813    5.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0542    8.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0711    4.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9002    7.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1175    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4237    9.0499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8563   10.3814    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    1.5545    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  5 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 12  1  6  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  1  0  0  0
 19 27  1  1  0  0  0
 18 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (964)
1601

>  <Formula> (964)
C21H23N2NaO6S

>  <MolWeight> (964)
454.47189

>  <Item Name> (964)
Nafcillin Sodium

>  <Catalog Number> (964)
S4042

>  <Synonyms> (964)
N/A

>  <Target> (964)
Antifection

>  <Form> (964)
sodium Salt

>  <URL> (964)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (964)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2768    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2768    4.1994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    2.0998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6110    2.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6110    4.6321    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0626    4.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    5.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    2.8008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0626    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4326    3.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    6.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8212    5.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8526    4.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8526    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2290    7.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2799    1.2467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0117    3.2037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487    1.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383    3.0814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 23  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  1  0  0  0
  4 10  1  0  0  0  0
  5 11  1  6  0  0  0
  5 12  1  1  0  0  0
  5 10  1  0  0  0  0
  6 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 25  1  6  0  0  0
  9 15  1  0  0  0  0
 11 16  3  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  1  0  0  0
 15 17  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (965)
1602

>  <Formula> (965)
C20H26O2

>  <MolWeight> (965)
298.41924

>  <Item Name> (965)
Norethindrone (Norethisterone)

>  <Catalog Number> (965)
S4040

>  <Synonyms> (965)
N/A

>  <Target> (965)
Others

>  <Form> (965)
Free Base

>  <URL> (965)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (965)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/10101813202D

 24 23  0  0  0  0  0  0  0  0999 V2000
    2.0951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    3.6916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    2.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7879    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    2.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    1.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    0.0627    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.4854    4.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8806    4.9040    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7879    6.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8830    2.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   13.1056    4.9583    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  6 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (966)
1603

>  <Formula> (966)
C14H8N2Na2O6

>  <MolWeight> (966)
346.20266

>  <Item Name> (966)
Olsalazine Sodium

>  <Catalog Number> (966)
S4041

>  <Synonyms> (966)
N/A

>  <Target> (966)
Antifection

>  <Form> (966)
Disodium Salt

>  <URL> (966)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (966)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/10101813202D

 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> (967)
1604

>  <Formula> (967)
C13H17ClN2

>  <MolWeight> (967)
236.74048

>  <Item Name> (967)
Tetrahydrozoline HCl

>  <Catalog Number> (967)
S4043

>  <Synonyms> (967)
N/A

>  <Target> (967)
Adrenergic Receptor

>  <Form> (967)
hydrochloride

>  <URL> (967)
http://www.selleckchem.com/products/tetrahydrozoline-hcl.html

>  <CAS Number> (967)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  5 15  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 23 26  2  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 25 29  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (968)
1605

>  <Formula> (968)
C18H14F3N3O4S

>  <MolWeight> (968)
425.3816696

>  <Item Name> (968)
Toltrazuril

>  <Catalog Number> (968)
S4044

>  <Synonyms> (968)
N/A

>  <Target> (968)
Antifection

>  <Form> (968)
Free Base

>  <URL> (968)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (968)
69004-03-1

$$$$
Dibucaine HCL.cdx
csChFnd80/10101813202D

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.4324    5.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6486    4.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.6904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8572    5.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6562    3.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6335    7.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086    7.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8724    2.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4476    2.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0583    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0810    3.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5059    3.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4983    4.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    2.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9080    7.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7069    5.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307    3.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3136    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (969)
1606

>  <Formula> (969)
C20H30ClN3O2

>  <MolWeight> (969)
379.9241

>  <Item Name> (969)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (969)
S4038

>  <Synonyms> (969)
N/A

>  <Target> (969)
Sodium Channel

>  <Form> (969)
hydrochloride

>  <URL> (969)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (969)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/10101813202D

 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
    3.9664    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3913    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7540    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2912    8.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3434    6.0237    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    5.0338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3545    7.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3344    5.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    7.0137    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (970)
1607

>  <Formula> (970)
C21H27NO4S

>  <MolWeight> (970)
389.50838

>  <Item Name> (970)
Diphemanil Methylsulfate

>  <Catalog Number> (970)
S4034

>  <Synonyms> (970)
N/A

>  <Target> (970)
AChR

>  <Form> (970)
Methylsulfate

>  <URL> (970)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (970)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.2658    4.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    5.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    2.8126    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.4960    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1963    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    5.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6533    4.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313    6.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4577    5.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8417    5.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6334    4.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1333    1.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    6.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    4.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    5.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    7.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3313    7.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314    6.2738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    5.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3114    7.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3132    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5312    7.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8693    6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4439    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313    8.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7230    7.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2312    8.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6226    1.5313    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6226    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  7  1  2  0  0  0  0
  4  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
 13  3  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15  6  1  0  0  0  0
 18  8  2  0  0  0  0
 19  8  1  0  0  0  0
 20  9  2  0  0  0  0
 21  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11 17  1  0  0  0  0
 16 11  1  0  0  0  0
 22 13  1  0  0  0  0
 17 14  1  0  0  0  0
 16 15  1  0  0  0  0
 26 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  2  0  0  0  0
 28 23  1  0  0  0  0
 27 24  2  0  0  0  0
 27 25  1  0  0  0  0
 28 26  2  0  0  0  0
M  END
>  <Mol_ID> (971)
1608

>  <Formula> (971)
C24H33ClN2O3

>  <MolWeight> (971)
432.98342

>  <Item Name> (971)
Doxapram HCl

>  <Catalog Number> (971)
S4037

>  <Synonyms> (971)
N/A

>  <Target> (971)
Potassium Channel

>  <Form> (971)
HCl

>  <URL> (971)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (971)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
    4.8446    8.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8446    7.0170    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1726    8.8446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6352    9.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    6.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1724    6.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9949    7.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6047   10.1763    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4268    8.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    4.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    7.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9739   10.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6147   11.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.2194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9639    9.4780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    2.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3162    9.8404    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6430    2.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    2.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3061    8.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6785   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    0.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    2.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7267    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9438    7.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6584    9.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9897    5.6245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    9.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 30  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 29  1  6  0  0  0
  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  6  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 27  1  0  0  0  0
 24 28  1  6  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (972)
1609

>  <Formula> (972)
C28H44O

>  <MolWeight> (972)
396.64836

>  <Item Name> (972)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (972)
S4035

>  <Synonyms> (972)
N/A

>  <Target> (972)
DNA/RNA Synthesis

>  <Form> (972)
Free Base

>  <URL> (972)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (972)
50-14-6

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/10101813202D

 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
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (973)
1613

>  <Formula> (973)
C20H31NO6

>  <MolWeight> (973)
381.46324

>  <Item Name> (973)
Desvenlafaxine Succinate

>  <Catalog Number> (973)
S4112

>  <Synonyms> (973)
N/A

>  <Target> (973)
5-HT Receptor

>  <Form> (973)
Succinate

>  <URL> (973)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (973)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
    2.4364    5.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6328    7.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    7.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998    7.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    5.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    5.1287    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    2.4364    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7501    1.1258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485    1.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5845    2.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9727    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0578    4.2203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   10.6334    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4509    4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.6602    5.0816    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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  1  9  1  0  0  0  0
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 18 16  1  1  0  0  0
 18 19  1  0  0  0  0
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 28 29  2  0  0  0  0
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 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (974)
1614

>  <Formula> (974)
C19H18Cl2N3NaO6S

>  <MolWeight> (974)
510.32349

>  <Item Name> (974)
Dicloxacillin Sodium

>  <Catalog Number> (974)
S4111

>  <Synonyms> (974)
Diclocil

>  <Target> (974)
Antifection

>  <Form> (974)
Sodium Salt

>  <URL> (974)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (974)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/10101813202D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.0513    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9011    4.1924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
    9.6904    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   13.8795    8.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (975)
1615

>  <Formula> (975)
C25H28O3

>  <MolWeight> (975)
376.48802

>  <Item Name> (975)
Estradiol Benzoate

>  <Catalog Number> (975)
S4110

>  <Synonyms> (975)
N/A

>  <Target> (975)
Estrogen/progestogen Receptor

>  <Form> (975)
Free Base

>  <URL> (975)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (975)
50-50-0

$$$$
Tariquidar.cdx
csChFnd80/10101813202D

 48 53  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 38  1  0  0  0  0
 43 45  1  0  0  0  0
 42 46  1  0  0  0  0
 45 47  1  0  0  0  0
 46 48  1  0  0  0  0
M  END
>  <Mol_ID> (976)
1619

>  <Formula> (976)
C38H38N4O6

>  <MolWeight> (976)
646.73152

>  <Item Name> (976)
Tariquidar

>  <Catalog Number> (976)
S8028

>  <Synonyms> (976)
N/A

>  <Target> (976)
P-gp

>  <Form> (976)
Free Base

>  <URL> (976)
http://www.selleckchem.com/products/tariquidar.html

>  <CAS Number> (976)
206873-63-4

$$$$
Aminosalicylate sodium.cdx
csChFnd80/10101813202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.2103    2.0976    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8434    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2640    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6955    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (977)
1622

>  <Formula> (977)
C7H6NNaO3

>  <MolWeight> (977)
175.11721

>  <Item Name> (977)
Sodium 4-Aminosalicylate

>  <Catalog Number> (977)
S4073

>  <Synonyms> (977)
N/A

>  <Target> (977)
NF-¦ÊB

>  <Form> (977)
Sodium Salt

>  <URL> (977)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (977)
133-10-8

$$$$

csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7018    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3349    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5506    3.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8506    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4812    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7355    6.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    6.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0726    5.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130    4.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    7.9305    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4994    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6169    9.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3369    8.9205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4181    5.7555    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
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 10 22  1  0  0  0  0
M  END
>  <Mol_ID> (978)
1623

>  <Formula> (978)
C16H14N2O3S

>  <MolWeight> (978)
314.35896

>  <Item Name> (978)
Valdecoxib

>  <Catalog Number> (978)
S4049

>  <Synonyms> (978)
SC-65872, YM-974

>  <Target> (978)
COX

>  <Form> (978)
Free Base

>  <URL> (978)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (978)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  0  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
   10.8909    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.6976    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
    2.4165    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2621    6.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    6.9806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  8 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  8  1  0  0  0  0
M  END
>  <Mol_ID> (979)
1624

>  <Formula> (979)
C22H19NO4

>  <MolWeight> (979)
361.39056

>  <Item Name> (979)
Bisacodyl

>  <Catalog Number> (979)
S4047

>  <Synonyms> (979)
N/A

>  <Target> (979)
Others

>  <Form> (979)
Free Base

>  <URL> (979)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (979)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/10101813202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.5661    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026    1.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6475    2.5805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9402    3.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0398    2.4342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    0.1676    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (980)
1625

>  <Formula> (980)
C7H10N2O2S

>  <MolWeight> (980)
186.2315

>  <Item Name> (980)
Carbimazole

>  <Catalog Number> (980)
S4048

>  <Synonyms> (980)
N/A

>  <Target> (980)
Others

>  <Form> (980)
Free Base

>  <URL> (980)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (980)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/10101813202D

 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> (981)
1626

>  <Formula> (981)
C16H38Br2N2

>  <MolWeight> (981)
418.29432

>  <Item Name> (981)
Decamethonium Bromide

>  <Catalog Number> (981)
S4072

>  <Synonyms> (981)
Syncurine

>  <Target> (981)
AChR

>  <Form> (981)
Bromide

>  <URL> (981)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (981)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/10101813202D

 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> (982)
1627

>  <Formula> (982)
C26H36O3

>  <MolWeight> (982)
396.56224

>  <Item Name> (982)
Estradiol Cypionate

>  <Catalog Number> (982)
S4046

>  <Synonyms> (982)
N/A

>  <Target> (982)
Estrogen/progestogen Receptor

>  <Form> (982)
Free Base

>  <URL> (982)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (982)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1485    3.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    1.5827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0957    1.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7957    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6957    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1485    5.3221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    6.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9981    0.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1909    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
  9 20  2  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  1  0  0  0
 12 24  2  0  0  0  0
  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (983)
1628

>  <Formula> (983)
C17H17ClO6

>  <MolWeight> (983)
352.76628

>  <Item Name> (983)
Griseofulvin

>  <Catalog Number> (983)
S4071

>  <Synonyms> (983)
N/A

>  <Target> (983)
Microtubule Associated

>  <Form> (983)
Free Base

>  <URL> (983)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (983)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/10101813202D

  5  3  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6677    1.6976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
>  <Mol_ID> (984)
1629

>  <Formula> (984)
CH6ClN3

>  <MolWeight> (984)
95.53144

>  <Item Name> (984)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (984)
S4070

>  <Synonyms> (984)
N/A

>  <Target> (984)
Others

>  <Form> (984)
Hydrochloride

>  <URL> (984)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (984)
50-01-1

$$$$
Hexamethonium bromide.cdx
csChFnd80/10101813202D

 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> (985)
1630

>  <Formula> (985)
C12H30Br2N2

>  <MolWeight> (985)
362.188

>  <Item Name> (985)
Hexamethonium Dibromide

>  <Catalog Number> (985)
S4069

>  <Synonyms> (985)
N/A

>  <Target> (985)
AChR

>  <Form> (985)
Dibromide

>  <URL> (985)
http://www.selleckchem.com/products/hexamethonium-bromide.html

>  <CAS Number> (985)
55-97-0

$$$$
Mefenamic acid.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 10 11  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (986)
1631

>  <Formula> (986)
C15H15NO2

>  <MolWeight> (986)
241.2851

>  <Item Name> (986)
Mefenamic Acid

>  <Catalog Number> (986)
S4078

>  <Synonyms> (986)
N/A

>  <Target> (986)
COX

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (986)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/10101813202D

  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> (987)
1632

>  <Formula> (987)
C7H8O2

>  <MolWeight> (987)
124.13722

>  <Item Name> (987)
Mequinol

>  <Catalog Number> (987)
S4077

>  <Synonyms> (987)
N/A

>  <Target> (987)
Others

>  <Form> (987)
Free Base

>  <URL> (987)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (987)
150-76-5

$$$$
Sodium nitrite.cdx
csChFnd80/10101813202D

  4  2  0  0  0  0  0  0  0  0999 V2000
    2.2103    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4227    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6310    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5979    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <Mol_ID> (988)
1634

>  <Formula> (988)
NNaO2

>  <MolWeight> (988)
68.99527

>  <Item Name> (988)
Sodium Nitrite

>  <Catalog Number> (988)
S4074

>  <Synonyms> (988)
N/A

>  <Target> (988)
Others

>  <Form> (988)
Sodium Salt

>  <URL> (988)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (988)
7632-00-0

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/10101813202D

 26 26  0  0  0  0  0  0  0  0999 V2000
   11.7965    0.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    0.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7965    2.3905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5841    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    3.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    2.3905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841    4.4905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    3.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1592    4.4905    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3717    5.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3717    6.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9468    5.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7344    4.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5219    5.1905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    6.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    6.8739    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.6615    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2430    4.6211    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9368    5.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    4.0389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    2.9985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    3.2896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083    1.6671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7869    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  1  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 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 19  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (989)
1636

>  <Formula> (989)
C14H25ClN6O5

>  <MolWeight> (989)
392.8385

>  <Item Name> (989)
Valganciclovir Hydrochloride

>  <Catalog Number> (989)
S4050

>  <Synonyms> (989)
N/A

>  <Target> (989)
Antifection

>  <Form> (989)
Hydrochloride

>  <URL> (989)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (989)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/10101813202D

 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
    9.7597    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0597    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7229    7.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4439    7.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    5.8026    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    4.1951    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    7.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    7.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5560    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1548    5.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5500    5.5115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3144   11.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   11.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5268   13.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350   11.1761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7350    9.7810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9432   11.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 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
 10 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
  4 23  1  0  0  0  0
 23 24  3  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
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (990)
1638

>  <Formula> (990)
C22H23FN2O5

>  <MolWeight> (990)
414.4268232

>  <Item Name> (990)
Escitalopram Oxalate

>  <Catalog Number> (990)
S4064

>  <Synonyms> (990)
S-(+)-Citalopram Oxalate

>  <Target> (990)
5-HT Receptor

>  <Form> (990)
Oxalate

>  <URL> (990)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (990)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/10101813202D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    4.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    6.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.7805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.5732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    6.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.6780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    6.3780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6458    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  3  1  0  0  0  0
  3  4  2  0  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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (991)
1639

>  <Formula> (991)
C10H12Cl2N4O2

>  <MolWeight> (991)
291.13388

>  <Item Name> (991)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (991)
S4065

>  <Synonyms> (991)
N/A

>  <Target> (991)
Adrenergic Receptor

>  <Form> (991)
Acetate

>  <URL> (991)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (991)
23256-50-0

$$$$
tinidazole.cdx
csChFnd80/10101813202D

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    2.4680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7687    4.9361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1381    5.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7788    5.9260    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7687    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5619    2.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    3.6805    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    5.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8743    5.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6619    2.2805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0619    3.6805    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  1  2  0  0  0  0
  5  6  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
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (992)
1641

>  <Formula> (992)
C8H13N3O4S

>  <MolWeight> (992)
247.27152

>  <Item Name> (992)
Tinidazole

>  <Catalog Number> (992)
S4068

>  <Synonyms> (992)
N/A

>  <Target> (992)
Antifection

>  <Form> (992)
Free Base

>  <URL> (992)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (992)
19387-91-8

$$$$
Ticagrelor.cdx
csChFnd80/10101813202D

 36 40  0  0  0  0  0  0  0  0999 V2000
    9.4255    7.7525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7865    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0283    7.8423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741    5.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.6602    4.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0400    5.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8854    3.5983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2569    4.2119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8501    4.2119    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9582   10.2108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5603    5.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0400    4.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7164    8.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4478    3.5243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6324    3.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2335   10.0413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6324    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2134    2.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5900   10.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9222    8.7701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3083    2.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5799    9.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9322    9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0958    1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0958    0.1967    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
  5  1  1  1  0  0  0
  4  2  2  0  0  0  0
  8  2  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
  9  7  2  0  0  0  0
 14  8  2  0  0  0  0
  9 14  1  0  0  0  0
 10 16  1  1  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 11 18  1  6  0  0  0
 13 11  1  0  0  0  0
 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
 19 17  1  0  0  0  0
 20 18  2  0  0  0  0
 23 18  1  0  0  0  0
 19 29  1  1  0  0  0
 21 20  1  0  0  0  0
 28 21  1  0  0  0  0
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 22 25  1  0  0  0  0
 30 22  1  0  0  0  0
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 32 24  1  0  0  0  0
 33 29  1  0  0  0  0
 31 34  1  0  0  0  0
 35 32  1  0  0  0  0
 34 33  1  0  0  0  0
 36 35  1  0  0  0  0
M  END
>  <Mol_ID> (993)
1643

>  <Formula> (993)
C23H28F2N6O4S

>  <MolWeight> (993)
522.5680264

>  <Item Name> (993)
Ticagrelor

>  <Catalog Number> (993)
S4079

>  <Synonyms> (993)
AZD6140

>  <Target> (993)
P2 Receptor

>  <Form> (993)
Free Base

>  <URL> (993)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (993)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/10101813202D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  1 11  1  0  0  0  0
  5 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (994)
1644

>  <Formula> (994)
C12H11N7

>  <MolWeight> (994)
253.26264

>  <Item Name> (994)
Triamterene

>  <Catalog Number> (994)
S4080

>  <Synonyms> (994)
N/A

>  <Target> (994)
Sodium Channel

>  <Form> (994)
Free Base

>  <URL> (994)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (994)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/10101813202D

 16 13  0  0  0  0  0  0  0  0999 V2000
    2.4461    2.7512    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6800    2.0405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2164    2.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4461    4.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    2.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2470    4.8266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1259    2.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3424    2.7685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    2.0754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7710    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5589    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9875    2.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3469    5.7963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    5.7963    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (995)
1645

>  <Formula> (995)
C10H26Cl2N2O2

>  <MolWeight> (995)
277.23164

>  <Item Name> (995)
Ethambutol HCl

>  <Catalog Number> (995)
S4004

>  <Synonyms> (995)
N/A

>  <Target> (995)
Antifection

>  <Form> (995)
Dihydrochloride

>  <URL> (995)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (995)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.7009    5.9029    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    1.3028    2.5486    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    3.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813    3.8613    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3028    5.3125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1668    3.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    2.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3129    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2928    6.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8713    4.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0792    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3095    1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4957    1.3951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7039    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4957    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9164    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1288    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1288    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9164    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7039    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  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
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  6  0  0  0
  9 13  1  6  0  0  0
  2 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (996)
1646

>  <Formula> (996)
C17H24BrNO3

>  <MolWeight> (996)
370.28136

>  <Item Name> (996)
Homatropine Methylbromide

>  <Catalog Number> (996)
S4024

>  <Synonyms> (996)
N/A

>  <Target> (996)
AChR

>  <Form> (996)
quaternary-N bromide salt

>  <URL> (996)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (996)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.7119    3.0029    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3224    4.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069    2.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9231    2.3036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    4.7635    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2961    3.4147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1326    3.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6941    6.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5589    4.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3477    2.3004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1326    4.3959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    7.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5537    2.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3477    0.8959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7692    2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5607    4.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9868    2.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7770    5.0782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9927    4.3714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303    5.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2961    2.0163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1750    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  6  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  1  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 16  1  0  0  0  0
 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
M  END
>  <Mol_ID> (997)
1647

>  <Formula> (997)
C16H22BrNO3

>  <MolWeight> (997)
356.25478

>  <Item Name> (997)
Homatropine Bromide

>  <Catalog Number> (997)
S4025

>  <Synonyms> (997)
N/A

>  <Target> (997)
AChR

>  <Form> (997)
quaternary-N bromide salt

>  <URL> (997)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (997)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/10101813202D

 28 28  0  0  0  0  0  0  0  0999 V2000
    8.9060    4.2083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1182    4.9082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6944    4.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9060    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3211    4.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1114    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6940    6.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4735    4.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1181    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    2.1085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5217    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3349    7.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4862    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588    4.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6792    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5412    6.3023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2591    6.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9044    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7534    7.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0469    7.0015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9688    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1795    6.9994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3925    6.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6044    6.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8168    6.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7545   21.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   21.3583    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (998)
1648

>  <Formula> (998)
C21H29Cl3N2O2

>  <MolWeight> (998)
447.82616

>  <Item Name> (998)
Hydroxyzine 2HCl

>  <Catalog Number> (998)
S4026

>  <Synonyms> (998)
N/A

>  <Target> (998)
Histamine Receptor

>  <Form> (998)
dihydrochloride

>  <URL> (998)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (998)
2192-20-3

$$$$
Flavoxate HCL.cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.3783    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    4.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    1.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783    7.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0163    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    3.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    8.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1964    6.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    4.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    9.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3947    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   10.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3783   11.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   12.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5789    9.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 10  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (999)
1649

>  <Formula> (999)
C24H26ClNO4

>  <MolWeight> (999)
427.92054

>  <Item Name> (999)
Flavoxate HCl

>  <Catalog Number> (999)
S4027

>  <Synonyms> (999)
N/A

>  <Target> (999)
AChR

>  <Form> (999)
hydrochloride

>  <URL> (999)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (999)
3717-88-2

$$$$
Aclidinium bromide.cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.7630    6.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9792    5.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7333    5.3308    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.5288    7.1477    0.0000 C   0  0  0  0  0  0  0  0  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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 10  7  1  0  0  0  0
 12  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,000)
1650

>  <Formula> (1,000)
C26H30BrNO4S2

>  <MolWeight> (1,000)
564.5547

>  <Item Name> (1,000)
Aclidinium Bromide

>  <Catalog Number> (1,000)
S4031

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
AChR

>  <Form> (1,000)
quaternary-N bromide salt

>  <URL> (1,000)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (1,000)
320345-99-1

$$$$
Levodropropizine.cdx
csChFnd80/10101813202D

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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8909    4.1976    0.0000 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> (1,001)
1654

>  <Formula> (1,001)
C13H20N2O2

>  <MolWeight> (1,001)
236.3101

>  <Item Name> (1,001)
Levodropropizine

>  <Catalog Number> (1,001)
S4131

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
Histamine Receptor

>  <Form> (1,001)
Free Base

>  <URL> (1,001)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (1,001)
99291-25-5

$$$$
Mildronate.cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.1623    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9621    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  4  1  0  0  0  0
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  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1655

>  <Formula> (1,002)
C6H15N2O2+

>  <MolWeight> (1,002)
147.1955

>  <Item Name> (1,002)
Mildronate

>  <Catalog Number> (1,002)
S4130

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
Hydroxylase

>  <Form> (1,002)
Free Base

>  <URL> (1,002)
https://www.selleckchem.com/products/mildronate.html

>  <CAS Number> (1,002)
76144-81-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/10101813202D

 31 30  0  0  0  0  0  0  0  0999 V2000
    7.2652    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,003)
1656

>  <Formula> (1,003)
C18H28FN3O8S

>  <MolWeight> (1,003)
465.4936232

>  <Item Name> (1,003)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (1,003)
S4119

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Topoisomerase

>  <Form> (1,003)
Mesylate

>  <URL> (1,003)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (1,003)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1659

>  <Formula> (1,004)
C10H11NaO2

>  <MolWeight> (1,004)
186.18291

>  <Item Name> (1,004)
Sodium Phenylbutyrate

>  <Catalog Number> (1,004)
S4125

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
HDAC

>  <Form> (1,004)
Sodium Salt

>  <URL> (1,004)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (1,004)
1716-12-7

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,005)
1660

>  <Formula> (1,005)
C14H34Cl2N2O6

>  <MolWeight> (1,005)
397.33556

>  <Item Name> (1,005)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (1,005)
S4121

>  <Synonyms> (1,005)
Suxamethonium Chloride Dihydrate

>  <Target> (1,005)
AChR

>  <Form> (1,005)
Chloride

>  <URL> (1,005)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (1,005)
6101-15-1

$$$$
Sulconazle Nitrate.cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.2085    9.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,006)
1661

>  <Formula> (1,006)
C18H16Cl3N3O3S

>  <MolWeight> (1,006)
460.76194

>  <Item Name> (1,006)
Sulconazole Nitrate

>  <Catalog Number> (1,006)
S4120

>  <Synonyms> (1,006)
N/A

>  <Target> (1,006)
Antifection

>  <Form> (1,006)
Nitrate

>  <URL> (1,006)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (1,006)
82382-23-8

$$$$
Terbutaline sulfate.cdx
csChFnd80/10101813202D

 37 36  0  0  0  0  0  0  0  0999 V2000
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    7.7274   11.2317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5150   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3733   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    8.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   11.2317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,007)
1662

>  <Formula> (1,007)
C24H40N2O10S

>  <MolWeight> (1,007)
548.6468

>  <Item Name> (1,007)
Terbutaline Sulfate

>  <Catalog Number> (1,007)
S4127

>  <Synonyms> (1,007)
N/A

>  <Target> (1,007)
Adrenergic Receptor

>  <Form> (1,007)
Sulfate

>  <URL> (1,007)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (1,007)
23031-32-5 

$$$$
Timolol Maleate.cdx
csChFnd80/10101813202D

 29 29  0  0  0  0  0  0  0  0999 V2000
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    3.2645    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,008)
1664

>  <Formula> (1,008)
C17H28N4O7S

>  <MolWeight> (1,008)
432.49182

>  <Item Name> (1,008)
Timolol Maleate

>  <Catalog Number> (1,008)
S4123

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
Adrenergic Receptor

>  <Form> (1,008)
Maleate

>  <URL> (1,008)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (1,008)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4321    2.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    2.0272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2108    4.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,009)
1665

>  <Formula> (1,009)
C10H13ClN2

>  <MolWeight> (1,009)
196.67662

>  <Item Name> (1,009)
Tolazoline HCl

>  <Catalog Number> (1,009)
S4124

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Adrenergic Receptor

>  <Form> (1,009)
Hydrochloride

>  <URL> (1,009)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (1,009)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    3.6077    4.2039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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CDK

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HCl

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https://www.selleckchem.com/products/p276-00.html

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920113-03-7

$$$$
Ampicillin trihydrate.cdx
csChFnd80/10101813202D

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S4148

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>  <Form> (1,015)
Free Base

>  <URL> (1,015)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (1,015)
7177-48-2 

$$$$
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csChFnd80/10101813202D

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>  <Item Name> (1,016)
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>  <URL> (1,016)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (1,016)
117772-70-0

$$$$
Bacitracin.cdx
csChFnd80/10101813202D

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Bacitracin

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>  <Synonyms> (1,017)
N/A

>  <Target> (1,017)
Antifection

>  <Form> (1,017)
Free Base

>  <URL> (1,017)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (1,017)
1405-87-4

$$$$
Cyclizine 2HCl.cdx
csChFnd80/10101813202D

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>  <Formula> (1,018)
C18H24Cl2N2

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>  <Item Name> (1,018)
Cyclizine 2HCl

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>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
Histamine Receptor

>  <Form> (1,018)
Hydrochloride

>  <URL> (1,018)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (1,018)
5897-18-7

$$$$
LDK378.cdx
csChFnd80/10101813202D

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>  <Item Name> (1,019)
Ceritinib (LDK378)

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>  <Target> (1,019)
ALK

>  <Form> (1,019)
Free Base

>  <URL> (1,019)
http://www.selleckchem.com/products/ldk378.html

>  <CAS Number> (1,019)
1032900-25-6

$$$$
LY2835219.cdx
csChFnd80/10101813202D

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abemaciclib (LY2835219)

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S7158

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N/A

>  <Target> (1,020)
CDK

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Mesylate

>  <URL> (1,020)
http://www.selleckchem.com/products/ly2835219.html

>  <CAS Number> (1,020)
1231930-82-7

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/10101813202D

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>  <Formula> (1,021)
C15H14NNaO4

>  <MolWeight> (1,021)
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>  <Item Name> (1,021)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (1,021)
S4149

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
COX

>  <Form> (1,021)
Free Base

>  <URL> (1,021)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (1,021)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,022)
1709

>  <Formula> (1,022)
C19H24ClN3O

>  <MolWeight> (1,022)
345.86636

>  <Item Name> (1,022)
Benzydamine Hydrochloride

>  <Catalog Number> (1,022)
S4165

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
Immunology & Inflammation related

>  <Form> (1,022)
Hydrochloride

>  <URL> (1,022)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (1,022)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,023)
1710

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Betamipron

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

>  <CAS Number> (1,023)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/10101813202D

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Carprofen

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COX

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>  <URL> (1,024)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (1,024)
53716-49-7

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/10101813202D

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A   39
3.5H2O
M  END
>  <Mol_ID> (1,025)
1712

>  <Formula> (1,025)
C18H16N8Na2O7RS3

>  <MolWeight> (1,025)
598.54358

>  <Item Name> (1,025)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (1,025)
S4158

>  <Synonyms> (1,025)
N/A

>  <Target> (1,025)
Antifection

>  <Form> (1,025)
Free Base

>  <URL> (1,025)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (1,025)
104376-79-6

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,026)
1713

>  <Formula> (1,026)
C21H38ClN

>  <MolWeight> (1,026)
339.98612

>  <Item Name> (1,026)
Cetylpyridinium Chloride

>  <Catalog Number> (1,026)
S4172

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Antifection

>  <Form> (1,026)
Chloride

>  <URL> (1,026)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (1,026)
123-03-5

$$$$
Chloroquine phosphate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,027)
1714

>  <Formula> (1,027)
C18H32ClN3O8P2

>  <MolWeight> (1,027)
515.862502

>  <Item Name> (1,027)
Chloroquine Phosphate

>  <Catalog Number> (1,027)
S4157

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
Others

>  <Form> (1,027)
Diphosphate

>  <URL> (1,027)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (1,027)
50-63-5

$$$$
Chlorpropamide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,028)
1715

>  <Formula> (1,028)
C10H13ClN2O3S

>  <MolWeight> (1,028)
276.73982

>  <Item Name> (1,028)
Chlorpropamide

>  <Catalog Number> (1,028)
S4166

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
Others

>  <Form> (1,028)
Free Base

>  <URL> (1,028)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (1,028)
94-20-2

$$$$
Chlortetracycline HCl.cdx
csChFnd80/10101813202D

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  1  2  1  0  0  0  0
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 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,029)
1717

>  <Formula> (1,029)
C22H24Cl2N2O8

>  <MolWeight> (1,029)
515.34056

>  <Item Name> (1,029)
Chlortetracycline HCl

>  <Catalog Number> (1,029)
S4156

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
Antifection

>  <Form> (1,029)
Hydrochloride

>  <URL> (1,029)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (1,029)
64-72-2

$$$$
Chlorzoxazone.cdx
csChFnd80/10101813202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6210    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6184    2.0861    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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M  END
>  <Mol_ID> (1,030)
1718

>  <Formula> (1,030)
C7H4ClNO2

>  <MolWeight> (1,030)
169.56516

>  <Item Name> (1,030)
Chlorzoxazone

>  <Catalog Number> (1,030)
S4155

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
P450 (e.g. CYP17)

>  <Form> (1,030)
Free Base

>  <URL> (1,030)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (1,030)
95-25-0

$$$$
Clofazimine.cdx
csChFnd80/10101813202D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,031)
1723

>  <Formula> (1,031)
C27H22Cl2N4

>  <MolWeight> (1,031)
473.39638

>  <Item Name> (1,031)
Clofazimine

>  <Catalog Number> (1,031)
S4107

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
Phospholipase (e.g. PLA)

>  <Form> (1,031)
Free Base

>  <URL> (1,031)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (1,031)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/10101813202D

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,032)
1724

>  <Formula> (1,032)
C11H17Cl2NO

>  <MolWeight> (1,032)
250.16478

>  <Item Name> (1,032)
Clorprenaline HCL

>  <Catalog Number> (1,032)
S4135

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
Adrenergic Receptor

>  <Form> (1,032)
Hydrochloride

>  <URL> (1,032)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (1,032)
6933-90-0

$$$$
Closantel sodium.cdx
csChFnd80/10101813202D

 31 32  0  0  0  0  0  0  0  0999 V2000
    9.7040    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    6.3073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7040    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1350    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9163    7.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919    3.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2797    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3470    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,033)
1726

>  <Formula> (1,033)
C22H13Cl2I2N2NaO2

>  <MolWeight> (1,033)
685.05553

>  <Item Name> (1,033)
Closantel Sodium

>  <Catalog Number> (1,033)
S4105

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
Antifection

>  <Form> (1,033)
Sodium Salt

>  <URL> (1,033)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (1,033)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/10101813202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  2  0  0  0  0
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  1 11  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,034)
1727

>  <Formula> (1,034)
C9H6O2

>  <MolWeight> (1,034)
146.14274

>  <Item Name> (1,034)
Coumarin

>  <Catalog Number> (1,034)
S4170

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
PARP

>  <Form> (1,034)
Free Base

>  <URL> (1,034)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (1,034)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3110    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4207    0.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,035)
1728

>  <Formula> (1,035)
C17H24O3

>  <MolWeight> (1,035)
276.37066

>  <Item Name> (1,035)
Cyclandelate

>  <Catalog Number> (1,035)
S4189

>  <Target> (1,035)
Others

>  <Form> (1,035)
Free Base

>  <URL> (1,035)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (1,035)
456-59-7

$$$$
Dexlansoprazole.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,036)
1730

>  <Formula> (1,036)
C16H14F3N3O2S

>  <MolWeight> (1,036)
369.3614696

>  <Item Name> (1,036)
Dexlansoprazole

>  <Catalog Number> (1,036)
S4099

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
Proton Pump

>  <Form> (1,036)
Free Base

>  <URL> (1,036)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (1,036)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,037)
1731

>  <Formula> (1,037)
C11H14N4O4

>  <MolWeight> (1,037)
266.25326

>  <Item Name> (1,037)
Doxofylline

>  <Catalog Number> (1,037)
S4164

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
PDE

>  <Form> (1,037)
Free Base

>  <URL> (1,037)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (1,037)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,038)
1732

>  <Formula> (1,038)
C13H20N2O2

>  <MolWeight> (1,038)
236.3101

>  <Item Name> (1,038)
Dropropizine

>  <Catalog Number> (1,038)
S4138

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Others

>  <Form> (1,038)
Free Base

>  <URL> (1,038)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (1,038)
17692-31-8

$$$$
Eprazinone 2HCl.cdx
csChFnd80/10101813202D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,039)
1733

>  <Formula> (1,039)
C24H34Cl2N2O2

>  <MolWeight> (1,039)
453.44496

>  <Item Name> (1,039)
Eprazinone 2HCl

>  <Catalog Number> (1,039)
S4137

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Free Base

>  <Form> (1,039)
HCl

>  <URL> (1,039)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (1,039)
10402-53-6

$$$$
Ethamsylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,040)
1734

>  <Formula> (1,040)
C10H17NO5S

>  <MolWeight> (1,040)
263.31068

>  <Item Name> (1,040)
Ethamsylate

>  <Catalog Number> (1,040)
S4152

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
Immunology & Inflammation related

>  <Form> (1,040)
Diethylamine

>  <URL> (1,040)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (1,040)
2624-44-4

$$$$
isovaleramide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,041)
1736

>  <Formula> (1,041)
C5H11NO

>  <MolWeight> (1,041)
101.14694

>  <Item Name> (1,041)
Isovaleramide

>  <Catalog Number> (1,041)
S4116

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Dehydrogenase

>  <Form> (1,041)
Free Base

>  <URL> (1,041)
http://www.selleckchem.com/products/isovaleramide.html

>  <CAS Number> (1,041)
541-46-8

$$$$
Mezlocillin sodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,042)
1737

>  <Formula> (1,042)
C21H24N5NaO8S2

>  <MolWeight> (1,042)
561.56373

>  <Item Name> (1,042)
Mezlocillin Sodium

>  <Catalog Number> (1,042)
S4179

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
Antifection

>  <Form> (1,042)
Sodium Salt

>  <URL> (1,042)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (1,042)
42057-22-7

$$$$
Penciclovir.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,043)
1740

>  <Formula> (1,043)
C10H15N5O3

>  <MolWeight> (1,043)
253.2578

>  <Item Name> (1,043)
Penciclovir

>  <Catalog Number> (1,043)
S4184

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
Antifection

>  <Form> (1,043)
Free Base

>  <URL> (1,043)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (1,043)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,044)
1741

>  <Formula> (1,044)
C28H27ClF5NO

>  <MolWeight> (1,044)
523.965096

>  <Item Name> (1,044)
Penfluridol

>  <Catalog Number> (1,044)
S4151

>  <Synonyms> (1,044)
TLP-607

>  <Target> (1,044)
Dopamine Receptor

>  <Form> (1,044)
Free Base

>  <URL> (1,044)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (1,044)
26864-56-2

$$$$
Sasapyrine.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,045)
1743

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C14H10O5

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258.2262

>  <Item Name> (1,045)
Sasapyrine

>  <Catalog Number> (1,045)
S4188

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
COX

>  <Form> (1,045)
Free Base

>  <URL> (1,045)
http://www.selleckchem.com/products/sasapyrine.html

>  <CAS Number> (1,045)
552-94-3

$$$$
Sodium gluconate.cdx
csChFnd80/10101813202D

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C6H11NaO7

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>  <Item Name> (1,046)
Sodium Gluconate

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S4174

>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
Others

>  <Form> (1,046)
Sodium salt

>  <URL> (1,046)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (1,046)
527-07-1

$$$$
Sulfaguanidine.cdx
csChFnd80/10101813202D

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>  <Formula> (1,047)
C7H10N4O2S

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214.2449

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Sulfaguanidine

>  <Catalog Number> (1,047)
S4175

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
Antifection

>  <Form> (1,047)
Free Base

>  <URL> (1,047)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (1,047)
57-67-0

$$$$
Trometamol.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,048)
1750

>  <Formula> (1,048)
C4H11NO3

>  <MolWeight> (1,048)
121.13504

>  <Item Name> (1,048)
Trometamol

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S4176

>  <Synonyms> (1,048)
N/A

>  <Target> (1,048)
COX

>  <Form> (1,048)
Free Base

>  <URL> (1,048)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (1,048)
77-86-1

$$$$
Uracil.cdx
csChFnd80/10101813202D

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1751

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C4H4N2O2

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Uracil

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S4177

>  <Synonyms> (1,049)
N/A

>  <Target> (1,049)
Others

>  <Form> (1,049)
Free Base

>  <URL> (1,049)
http://www.selleckchem.com/products/uracil.html

>  <CAS Number> (1,049)
66-22-8

$$$$
Primaquine diphosphate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,050)
1762

>  <Formula> (1,050)
C15H27N3O9P2

>  <MolWeight> (1,050)
455.337102

>  <Item Name> (1,050)
Primaquine Diphosphate

>  <Catalog Number> (1,050)
S4237

>  <Synonyms> (1,050)
N/A

>  <Target> (1,050)
Antifection

>  <Form> (1,050)
Diphosphate

>  <URL> (1,050)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (1,050)
63-45-6

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,051)
1764

>  <Formula> (1,051)
C16H19N3O4S

>  <MolWeight> (1,051)
349.40476

>  <Item Name> (1,051)
Resminostat (RAS2410)

>  <Catalog Number> (1,051)
S2693

>  <Synonyms> (1,051)
4SC-201, BYK408740

>  <Target> (1,051)
HDAC

>  <Form> (1,051)
Free Base

>  <URL> (1,051)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (1,051)
864814-88-0

$$$$
Bergapten.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,052)
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>  <Formula> (1,052)
C12H8O4

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Bergapten

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S4239

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N/A

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DNA/RNA Synthesis

>  <Form> (1,052)
Free Base

>  <URL> (1,052)
http://www.selleckchem.com/products/bergapten.html

>  <CAS Number> (1,052)
484-20-8

$$$$
>  <Mol_ID> (1,053)
1771

>  <Item Name> (1,053)
Capreomycin Sulfate

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S4234

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
Antifection

>  <Form> (1,053)
Sulfate

>  <URL> (1,053)
http://www.selleckchem.com/products/capreomycin-sulfate.html

>  <CAS Number> (1,053)
1405-37-4

$$$$
dirithromycin.cdx
csChFnd80/10101813202D

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1774

>  <Formula> (1,054)
C42H78N2O14

>  <MolWeight> (1,054)
835.07372

>  <Item Name> (1,054)
Dirithromycin

>  <Catalog Number> (1,054)
S4213

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
Antifection

>  <Form> (1,054)
Free Base

>  <URL> (1,054)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,054)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/10101813202D

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M  END
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1775

>  <Formula> (1,055)
C22H40BrNO

>  <MolWeight> (1,055)
414.4631

>  <Item Name> (1,055)
Domiphen Bromide

>  <Catalog Number> (1,055)
S4186

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
Others

>  <Form> (1,055)
Free Base

>  <URL> (1,055)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,055)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/10101813202D

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1776

>  <Formula> (1,056)
C21H28N2O5

>  <MolWeight> (1,056)
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>  <Item Name> (1,056)
Doxylamine Succinate

>  <Catalog Number> (1,056)
S4240

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
Histamine Receptor

>  <Form> (1,056)
Succinate

>  <URL> (1,056)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,056)
562-10-7

$$$$
D-Phenylalanine.cdx
csChFnd80/10101813202D

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>  <Formula> (1,057)
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>  <MolWeight> (1,057)
165.18914

>  <Item Name> (1,057)
D-Phenylalanine

>  <Catalog Number> (1,057)
S4153

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
Others

>  <Form> (1,057)
Free Base

>  <URL> (1,057)
http://www.selleckchem.com/products/d-phenylalanine.html

>  <CAS Number> (1,057)
673-06-3

$$$$
Nefopam HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,058)
1781

>  <Formula> (1,058)
C17H20ClNO

>  <MolWeight> (1,058)
289.7998

>  <Item Name> (1,058)
Nefopam HCl

>  <Catalog Number> (1,058)
S4180

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
Others

>  <Form> (1,058)
Hydrochloride

>  <URL> (1,058)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (1,058)
23327-57-3

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/10101813202D

 36 37  0  0  0  0  0  0  0  0999 V2000
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   14.5071    4.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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  9 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,059)
1782

>  <Formula> (1,059)
C26H30ClN3O6

>  <MolWeight> (1,059)
515.9859

>  <Item Name> (1,059)
Nicardipine HCl

>  <Catalog Number> (1,059)
S4181

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
Calcium Channel

>  <Form> (1,059)
Hydrochloride

>  <URL> (1,059)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,059)
54527-84-3

$$$$
Paromomycin Sulfate.cdx
csChFnd80/10101813202D

 50 52  0  0  0  0  0  0  0  0999 V2000
    1.4298   11.5580    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4313   10.1531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6487    9.4520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8643   10.1553    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,060)
1784

>  <Formula> (1,060)
C23H47N5O18S

>  <MolWeight> (1,060)
713.70698

>  <Item Name> (1,060)
Paromomycin Sulfate

>  <Catalog Number> (1,060)
S4183

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
Antifection

>  <Form> (1,060)
Sulfate

>  <URL> (1,060)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,060)
1263-89-4

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,061)
1785

>  <Formula> (1,061)
C11H12ClN5

>  <MolWeight> (1,061)
249.69948

>  <Item Name> (1,061)
Phenazopyridine HCl

>  <Catalog Number> (1,061)
S4235

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
Sodium Channel

>  <Form> (1,061)
Hydrochloride

>  <URL> (1,061)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,061)
136-40-3

$$$$

csChFnd80/10101813202D

 37 40  0  0  0  0  0  0  0  0999 V2000
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   10.1871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,062)
1786

>  <Formula> (1,062)
C26H24N6O4S

>  <MolWeight> (1,062)
516.57156

>  <Item Name> (1,062)
Proflavine Hemisulfate

>  <Catalog Number> (1,062)
S4236

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
Antifection

>  <Form> (1,062)
Sulfate

>  <URL> (1,062)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (1,062)
1811-28-5

$$$$
Serotonin hydrochloride.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,063)
1787

>  <Formula> (1,063)
C10H13ClN2O

>  <MolWeight> (1,063)
212.67602

>  <Item Name> (1,063)
Serotonin HCl

>  <Catalog Number> (1,063)
S4244

>  <Synonyms> (1,063)
N/A

>  <Target> (1,063)
5-HT Receptor

>  <Form> (1,063)
Hydrochloride

>  <URL> (1,063)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,063)
153-98-0

$$$$
Sodium ascorbate.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.5442    4.2732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,064)
1788

>  <Formula> (1,064)
C6H10NaO6

>  <MolWeight> (1,064)
201.12977

>  <Item Name> (1,064)
Sodium ascorbate

>  <Catalog Number> (1,064)
S4245

>  <Synonyms> (1,064)
N/A

>  <Target> (1,064)
Vitamin

>  <Form> (1,064)
Sodium Salt

>  <URL> (1,064)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (1,064)
134-03-2

$$$$
sucralose.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.7900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,065)
1789

>  <Formula> (1,065)
C12H19Cl3O8

>  <MolWeight> (1,065)
397.63346

>  <Item Name> (1,065)
Sucralose

>  <Catalog Number> (1,065)
S4214

>  <Synonyms> (1,065)
N/A

>  <Target> (1,065)
Others

>  <Form> (1,065)
Free Base

>  <URL> (1,065)
http://www.selleckchem.com/products/sucralose.html

>  <CAS Number> (1,065)
56038-13-2

$$$$
teriflunomide.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
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 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (1,066)
1790

>  <Formula> (1,066)
C12H9F3N2O2

>  <MolWeight> (1,066)
270.2072696

>  <Item Name> (1,066)
Teriflunomide

>  <Catalog Number> (1,066)
S4169

>  <Synonyms> (1,066)
N/A

>  <Target> (1,066)
Dehydrogenase,Immunology & Inflammation

>  <Form> (1,066)
Free Base

>  <URL> (1,066)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,066)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/10101813202D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    9.2411    6.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    7.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6197    6.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6047    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5202    5.8214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8988    6.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7994    4.9935    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3768    7.3812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1780    5.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0786    4.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0959    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9106    2.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2536    1.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9005    1.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1619    5.6785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1619    4.2736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6261    6.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    3.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5668    3.6917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8913    0.6624    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
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  1  1  0  0  0  0
  1  9  1  0  0  0  0
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 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  9 12  2  0  0  0  0
  3 13  1  6  0  0  0
  7 14  1  6  0  0  0
  8 15  1  6  0  0  0
 14 16  1  0  0  0  0
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 17 19  1  0  0  0  0
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 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  1  0  0  0
  4 32  1  1  0  0  0
  5 33  1  1  0  0  0
  5 34  1  0  0  0  0
 33 35  2  0  0  0  0
  8 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  1  0  0  0
  2 39  1  1  0  0  0
 39 37  1  0  0  0  0
  1 40  1  6  0  0  0
M  END
>  <Mol_ID> (1,067)
1791

>  <Formula> (1,067)
C31H53ClN2O5S

>  <MolWeight> (1,067)
601.28092

>  <Item Name> (1,067)
Valnemulin HCl

>  <Catalog Number> (1,067)
S4216

>  <Synonyms> (1,067)
N/A

>  <Target> (1,067)
Antifection

>  <Form> (1,067)
Hydrochloride

>  <URL> (1,067)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,067)
133868-46-9

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/10101813202D

 32 24  0  0  0  0  0  0  0  0999 V2000
    8.5664    2.9021    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7788    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7788    4.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1953    3.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    2.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5476    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5341    4.2263    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.9086    1.8921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1995    0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9870    0.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4077    0.1069    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   14.5917    5.6146    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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    6.2330    7.8604    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
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    1.3476    2.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    1.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.2250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.7986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 24 25  1  0  0  0  0
 25 23  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 23 29  1  0  0  0  0
 21 30  1  0  0  0  0
 30 23  1  0  0  0  0
 24 31  2  0  0  0  0
 24 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,068)
1794

>  <Formula> (1,068)
C12H10BiK5O14+2

>  <MolWeight> (1,068)
782.67128

>  <Item Name> (1,068)
Bismuth Subcitrate Potassium

>  <Catalog Number> (1,068)
S4093

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
Antifection

>  <Form> (1,068)
Potassium salt

>  <URL> (1,068)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (1,068)
880149-29-1

$$$$
Clodronate disodium.cdx
csChFnd80/10101813202D

 13 10  0  0  0  0  0  0  0  0999 V2000
    4.8849    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2937    2.1740    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5053    2.1740    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.8748    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    5.5937    3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6693    1.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2053    3.3864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    2.9433    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0275    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    9.1463    2.9543    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,069)
1797

>  <Formula> (1,069)
CH2Cl2Na2O6P2

>  <MolWeight> (1,069)
288.856042

>  <Item Name> (1,069)
Clodronate Disodium

>  <Catalog Number> (1,069)
S4108

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
Others

>  <Form> (1,069)
Disodium salt

>  <URL> (1,069)
http://www.selleckchem.com/products/clodronate-disodium.html

>  <CAS Number> (1,069)
22560-50-5, 10596-23-3(free base)

$$$$
Colistin sulfate.cdx
csChFnd80/10101813202D

187182  0  0  0  0  0  0  0  0999 V2000
   18.8613   24.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2661   24.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.9661   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   25.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   26.5083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0661   24.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   22.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   21.6585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613   25.2958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   25.2958    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0613   26.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0613   24.0834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6613   24.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   27.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4661   26.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1661   27.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5661   27.7207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   28.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3661   30.1456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.4661   28.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9661   30.1456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4661   31.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7661   32.5705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9661   32.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9661   34.9953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6613   26.5083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7613   22.8710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4247   29.3403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212   28.6250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000   29.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390   27.2251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8661   36.2078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,070)
1798

>  <Formula> (1,070)
C104H206N32O46S5

>  <MolWeight> (1,070)
2801.26024

>  <Item Name> (1,070)
Colistin Sulfate

>  <Catalog Number> (1,070)
S4029

>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
Antifection

>  <Form> (1,070)
Sulfate

>  <URL> (1,070)
http://www.selleckchem.com/products/colistin-sulfate.html

>  <CAS Number> (1,070)
1264-72-8

$$$$
Difluprednate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,071)
1800

>  <Formula> (1,071)
C27H34F2O7

>  <MolWeight> (1,071)
508.5514664

>  <Item Name> (1,071)
Difluprednate

>  <Catalog Number> (1,071)
S4095

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
Others

>  <Form> (1,071)
Free Base

>  <URL> (1,071)
http://www.selleckchem.com/products/difluprednate.html

>  <CAS Number> (1,071)
23674-86-4

$$$$
Droperidol.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,072)
1802

>  <Formula> (1,072)
C22H22FN3O2

>  <MolWeight> (1,072)
379.4273832

>  <Item Name> (1,072)
Droperidol

>  <Catalog Number> (1,072)
S4096

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
Dopamine Receptor

>  <Form> (1,072)
Free Base

>  <URL> (1,072)
http://www.selleckchem.com/products/droperidol.html

>  <CAS Number> (1,072)
548-73-2

$$$$
Eprosartan mesylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,073)
1804

>  <Formula> (1,073)
C24H28N2O7S2

>  <MolWeight> (1,073)
520.61832

>  <Item Name> (1,073)
Eprosartan Mesylate

>  <Catalog Number> (1,073)
S4102

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
RAAS

>  <Form> (1,073)
Mesylate

>  <URL> (1,073)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,073)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,074)
1805

>  <Formula> (1,074)
C16H26ClNO4

>  <MolWeight> (1,074)
331.83494

>  <Item Name> (1,074)
Esmolol HCl

>  <Catalog Number> (1,074)
S4100

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
Adrenergic Receptor

>  <Form> (1,074)
Hydrochloride

>  <URL> (1,074)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,074)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/10101813202D

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 18 12  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,075)
1806

>  <Formula> (1,075)
C15H21ClN2O2

>  <MolWeight> (1,075)
296.79244

>  <Item Name> (1,075)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (1,075)
S4090

>  <Synonyms> (1,075)
N/A

>  <Target> (1,075)
Phospholipase (e.g. PLA)

>  <Form> (1,075)
Hydrochloride

>  <URL> (1,075)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (1,075)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,076)
1807

>  <Formula> (1,076)
C22H28F2O5

>  <MolWeight> (1,076)
410.4515264

>  <Item Name> (1,076)
Flumethasone

>  <Catalog Number> (1,076)
S4088

>  <Synonyms> (1,076)
N/A

>  <Target> (1,076)
Glucocorticoid Receptor

>  <Form> (1,076)
Free Base

>  <URL> (1,076)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (1,076)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/10101813202D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.2047    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047    0.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,077)
1809

>  <Formula> (1,077)
C24H32ClFO5

>  <MolWeight> (1,077)
454.9592832

>  <Item Name> (1,077)
Halcinonide

>  <Catalog Number> (1,077)
S4098

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Immunology & Inflammation related

>  <Form> (1,077)
Free Base

>  <URL> (1,077)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (1,077)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,078)
1810

>  <Formula> (1,078)
C25H31ClF2O5

>  <MolWeight> (1,078)
484.9604464

>  <Item Name> (1,078)
Halobetasol Propionate

>  <Catalog Number> (1,078)
S4089

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
Phospholipase (e.g. PLA)

>  <Form> (1,078)
Free Base

>  <URL> (1,078)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,078)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/10101813202D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,079)
1811

>  <Formula> (1,079)
C46H60N2O10

>  <MolWeight> (1,079)
800.976

>  <Item Name> (1,079)
Ifenprodil Tartrate

>  <Catalog Number> (1,079)
S4091

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
NMDAR

>  <Form> (1,079)
Tartrate

>  <URL> (1,079)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,079)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/10101813202D

 23 23  0  0  0  0  0  0  0  0999 V2000
    9.8710    3.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,080)
1814

>  <Formula> (1,080)
C18H30ClNO3

>  <MolWeight> (1,080)
343.8887

>  <Item Name> (1,080)
Levobetaxolol HCl

>  <Catalog Number> (1,080)
S4085

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
Adrenergic Receptor

>  <Form> (1,080)
Hydrochloride

>  <URL> (1,080)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,080)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/10101813202D

 36 37  0  0  0  0  0  0  0  0999 V2000
   11.8626    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,081)
1815

>  <Formula> (1,081)
C27H32Cl2F2N2O3

>  <MolWeight> (1,081)
541.4573864

>  <Item Name> (1,081)
Lomerizine 2HCl

>  <Catalog Number> (1,081)
S4084

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
Calcium Channel

>  <Form> (1,081)
Dihydrochloride

>  <URL> (1,081)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,081)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/10101813202D

 31 33  0  0  0  0  0  0  0  0999 V2000
    4.6231    8.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5070    7.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,082)
1816

>  <Formula> (1,082)
C22H24ClN3O5

>  <MolWeight> (1,082)
445.89606

>  <Item Name> (1,082)
Loxapine Succinate

>  <Catalog Number> (1,082)
S4086

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
5-HT Receptor,Dopamine Receptor

>  <Form> (1,082)
Succinate

>  <URL> (1,082)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,082)
27833-64-3

$$$$
MLN-4924.cdx
csChFnd80/10101813202D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,083)
1818

>  <Formula> (1,083)
C21H25N5O4S

>  <MolWeight> (1,083)
443.5193

>  <Item Name> (1,083)
Pevonedistat (MLN4924)

>  <Catalog Number> (1,083)
S7109

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
E1 Activating

>  <Form> (1,083)
Free Base

>  <URL> (1,083)
http://www.selleckchem.com/products/mln-4924.html

>  <CAS Number> (1,083)
905579-51-3

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,084)
1823

>  <Formula> (1,084)
C17H28ClNO3

>  <MolWeight> (1,084)
329.86212

>  <Item Name> (1,084)
Pramoxine HCl

>  <Catalog Number> (1,084)
S4092

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
Others

>  <Form> (1,084)
Hydrochloride

>  <URL> (1,084)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,084)
637-58-1

$$$$
Vitamin A acetate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,085)
1830

>  <Formula> (1,085)
C22H32O2

>  <MolWeight> (1,085)
328.48828

>  <Item Name> (1,085)
Vitamin A Acetate

>  <Catalog Number> (1,085)
S4083

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
Others

>  <Form> (1,085)
Free Base

>  <URL> (1,085)
http://www.selleckchem.com/products/vitamin-a-acetate.html

>  <CAS Number> (1,085)
127-47-9

$$$$
Vitamin A palmitate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,086)
1831

>  <Formula> (1,086)
C36H60O2

>  <MolWeight> (1,086)
524.8604

>  <Item Name> (1,086)
Vitamin A Palmitate

>  <Catalog Number> (1,086)
S4126

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
Others

>  <Form> (1,086)
Free Base

>  <URL> (1,086)
http://www.selleckchem.com/products/vitamin-a-palmitate.html

>  <CAS Number> (1,086)
79-81-2 

$$$$
Voglibose.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,087)
1832

>  <Formula> (1,087)
C10H21NO7

>  <MolWeight> (1,087)
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>  <Item Name> (1,087)
Voglibose

>  <Catalog Number> (1,087)
S4101

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Others

>  <Form> (1,087)
Free Base

>  <URL> (1,087)
http://www.selleckchem.com/products/voglibose.html

>  <CAS Number> (1,087)
83480-29-9

$$$$
14028-44-5.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,088)
1834

>  <Formula> (1,088)
C17H16ClN3O

>  <MolWeight> (1,088)
313.78144

>  <Item Name> (1,088)
Amoxapine

>  <Catalog Number> (1,088)
S4218

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
GlyT

>  <Form> (1,088)
Free Base

>  <URL> (1,088)
http://www.selleckchem.com/products/amoxapine.html

>  <CAS Number> (1,088)
14028-44-5

$$$$
Benzbromarone .cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,089)
1836

>  <Formula> (1,089)
C17H12Br2O3

>  <MolWeight> (1,089)
424.08338

>  <Item Name> (1,089)
Benzbromarone

>  <Catalog Number> (1,089)
S4221

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
P450 (e.g. CYP17)

>  <Form> (1,089)
Free Base

>  <URL> (1,089)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,089)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,090)
1837

>  <Formula> (1,090)
C27H42ClNO2

>  <MolWeight> (1,090)
448.08088

>  <Item Name> (1,090)
Benzethonium chloride

>  <Catalog Number> (1,090)
S4162

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
AChR

>  <Form> (1,090)
Chloride

>  <URL> (1,090)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,090)
121-54-0

$$$$
Benzoic acid .cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,091)
1839

>  <Formula> (1,091)
C7H6O2

>  <MolWeight> (1,091)
122.12134

>  <Item Name> (1,091)
Benzoic acid

>  <Catalog Number> (1,091)
S4161

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Others

>  <Form> (1,091)
Free Base

>  <URL> (1,091)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,091)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,092)
1840

>  <Formula> (1,092)
C16H17N2NaO4S

>  <MolWeight> (1,092)
356.37195

>  <Item Name> (1,092)
Penicillin G Sodium

>  <Catalog Number> (1,092)
S4160

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
Antifection

>  <Form> (1,092)
Sodium Salt

>  <URL> (1,092)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,092)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/10101813202D

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PPAR

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

>  <CAS Number> (1,093)
41859-67-0

$$$$
Cysteamine HCl.cdx
csChFnd80/10101813202D

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C2H8ClNS

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Cysteamine HCl

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N/A

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Hydrochloride

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http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (1,094)
156-57-0

$$$$
Erythritol.cdx
csChFnd80/10101813202D

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C4H10O4

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N/A

>  <Target> (1,095)
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Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/erythritol.html

>  <CAS Number> (1,095)
149-32-6

$$$$
fidaxomicin.cdx
csChFnd80/10101813202D

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M  END
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>  <Formula> (1,096)
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>  <MolWeight> (1,096)
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>  <Item Name> (1,096)
Fidaxomicin

>  <Catalog Number> (1,096)
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>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
DNA/RNA Synthes

>  <Form> (1,096)
Free Base

>  <URL> (1,096)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (1,096)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,097)
1850

>  <Formula> (1,097)
C24H31FO5

>  <MolWeight> (1,097)
418.4983432

>  <Item Name> (1,097)
Fluorometholone Acetate

>  <Catalog Number> (1,097)
S4228

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
Glucocorticoid Receptor

>  <Form> (1,097)
Free Base

>  <URL> (1,097)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,097)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/10101813202D

 12 13  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (1,098)
1851

>  <Formula> (1,098)
C6H10O4

>  <MolWeight> (1,098)
146.1412

>  <Item Name> (1,098)
Isosorbide

>  <Catalog Number> (1,098)
S4204

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
Others

>  <Form> (1,098)
Free Base

>  <URL> (1,098)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,098)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0703    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    1.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8574    4.2003    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4259    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7090    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9217    3.5012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  1  0  0  0  0
  3  6  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  2  0  0  0  0
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 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,099)
1852

>  <Formula> (1,099)
C15H11I3NNaO4

>  <MolWeight> (1,099)
672.95532

>  <Item Name> (1,099)
Liothyronine Sodium

>  <Catalog Number> (1,099)
S4217

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
Others

>  <Form> (1,099)
Free Base

>  <URL> (1,099)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,099)
55-06-1

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    2.4411    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839    2.7534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4411    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    2.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1647    4.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8822    1.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    2.7534    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2848    2.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    4.0491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3402    3.8641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  1  0  0  0  0
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 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,100)
1854

>  <Formula> (1,100)
C11H18ClNO

>  <MolWeight> (1,100)
215.71972

>  <Item Name> (1,100)
Mexiletine HCl

>  <Catalog Number> (1,100)
S4225

>  <Synonyms> (1,100)
N/A

>  <Target> (1,100)
Sodium Channel

>  <Form> (1,100)
Hydrochloride

>  <URL> (1,100)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,100)
5370-01-4

$$$$
Minocycline hydrochloride.cdx
csChFnd80/10101813202D

 36 38  0  0  0  0  0  0  0  0999 V2000
    7.2501    3.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2501    2.1074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4778    4.1760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0757    4.1857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0370    1.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4778    1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.6959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6958    3.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4924    5.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8528    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,101)
1855

>  <Formula> (1,101)
C23H28ClN3O7

>  <MolWeight> (1,101)
493.93732

>  <Item Name> (1,101)
Minocycline HCl

>  <Catalog Number> (1,101)
S4226

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Antifectio

>  <Form> (1,101)
Hydrochloride

>  <URL> (1,101)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (1,101)
13614-98-7

$$$$
Montelukast sodium.cdx
csChFnd80/10101813202D

 42 45  0  0  0  0  0  0  0  0999 V2000
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   14.0967    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18  2  1  0  0  0  0
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 15  3  2  0  0  0  0
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 35  4  2  0  0  0  0
 24  5  2  0  0  0  0
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 28  8  1  0  0  0  0
 36  8  1  0  0  0  0
 37  8  1  0  0  0  0
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 21  9  2  0  0  0  0
 30  9  1  0  0  0  0
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 41 38  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
>  <Mol_ID> (1,102)
1856

>  <Formula> (1,102)
C35H35ClNNaO3S

>  <MolWeight> (1,102)
608.16507

>  <Item Name> (1,102)
Montelukast Sodium

>  <Catalog Number> (1,102)
S4211

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
LTR

>  <Form> (1,102)
Sodium Salt

>  <URL> (1,102)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (1,102)
151767-02-1

$$$$
Oxaprozin.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.1722    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722    3.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,103)
1859

>  <Formula> (1,103)
C18H15NO3

>  <MolWeight> (1,103)
293.3166

>  <Item Name> (1,103)
Oxaprozin

>  <Catalog Number> (1,103)
S4230

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
COX

>  <Form> (1,103)
Free Base

>  <URL> (1,103)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,103)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/10101813202D

 23 22  0  0  0  0  0  0  0  0999 V2000
    4.2137    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4684    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3206    8.3607    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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  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
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,104)
1860

>  <Formula> (1,104)
C17H29ClN2O3

>  <MolWeight> (1,104)
344.87676

>  <Item Name> (1,104)
Oxybuprocaine HCl

>  <Catalog Number> (1,104)
S4229

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
Sodium Channel

>  <Form> (1,104)
Hydrochloride

>  <URL> (1,104)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,104)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/10101813202D

 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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
  8 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,105)
1861

>  <Formula> (1,105)
C20H24N2O4

>  <MolWeight> (1,105)
356.41556

>  <Item Name> (1,105)
Pheniramine Maleate

>  <Catalog Number> (1,105)
S4045

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
Histamine Receptor

>  <Form> (1,105)
Maleate

>  <URL> (1,105)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,105)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/10101813202D

 16 16  0  0  0  0  0  0  0  0999 V2000
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    2.1070    2.1574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    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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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
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  6 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,106)
1862

>  <Formula> (1,106)
C11H17ClN2O2

>  <MolWeight> (1,106)
244.71788

>  <Item Name> (1,106)
Pilocarpine HCl

>  <Catalog Number> (1,106)
S4231

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
AChR

>  <Form> (1,106)
Hydrochloride

>  <URL> (1,106)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,106)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/10101813202D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6817    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6817    3.2053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8289   12.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   13.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5122    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,107)
1863

>  <Formula> (1,107)
C23H26N5NaO7S

>  <MolWeight> (1,107)
539.53661

>  <Item Name> (1,107)
Piperacillin Sodium

>  <Catalog Number> (1,107)
S4222

>  <Synonyms> (1,107)
N/A

>  <Target> (1,107)
Antifection

>  <Form> (1,107)
Sodium Salt

>  <URL> (1,107)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (1,107)
59703-84-3

$$$$
192441-08-0.cdx
csChFnd80/10101813202D

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    2.0596    2.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2172    4.2057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6337    4.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4254    4.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0965    1.2589    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  6  1  2  0  0  0  0
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M  END
>  <Mol_ID> (1,108)
1868

>  <Formula> (1,108)
C10H8BrN5OS

>  <MolWeight> (1,108)
326.17242

>  <Item Name> (1,108)
Lomeguatrib

>  <Catalog Number> (1,108)
S8056

>  <Synonyms> (1,108)
PaTrin-2

>  <Target> (1,108)
DNA Methyltransferase

>  <Form> (1,108)
Free Base

>  <URL> (1,108)
http://www.selleckchem.com/products/lomeguatrib.html

>  <CAS Number> (1,108)
192441-08-0

$$$$
Prucalopride succinat.cdx
csChFnd80/10101813202D

 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
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   12.1768    1.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3095    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4421    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0093    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6094    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5094    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4094    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0094    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7093    6.0623    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.1094    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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  9 13  1  0  0  0  0
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 13 17  2  0  0  0  0
 12 14  2  0  0  0  0
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 21 22  1  0  0  0  0
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 20 24  1  0  0  0  0
 15 32  1  0  0  0  0
 14 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,109)
1870

>  <Formula> (1,109)
C22H32ClN3O7

>  <MolWeight> (1,109)
485.95838

>  <Item Name> (1,109)
Prucalopride Succinat

>  <Catalog Number> (1,109)
S4247

>  <Synonyms> (1,109)
N/A

>  <Target> (1,109)
5-HT Receptor

>  <Form> (1,109)
Succinat

>  <URL> (1,109)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,109)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/10101813202D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0685    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.8500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    2.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502    4.8498    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9502    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4500    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1502    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0502    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
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  6 11  2  0  0  0  0
  3  6  1  0  0  0  0
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  8 12  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,110)
1871

>  <Formula> (1,110)
C15H11BrNNaO3

>  <MolWeight> (1,110)
356.14651

>  <Item Name> (1,110)
Bromfenac Sodium

>  <Catalog Number> (1,110)
S4248

>  <Synonyms> (1,110)
N/A

>  <Target> (1,110)
COX

>  <Form> (1,110)
Sodium Salt

>  <URL> (1,110)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,110)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/10101813202D

 13 13  0  0  0  0  0  0  0  0999 V2000
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    2.2440    2.5563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3258    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,111)
1872

>  <Formula> (1,111)
C9H10O4

>  <MolWeight> (1,111)
182.1733

>  <Item Name> (1,111)
Flopropione

>  <Catalog Number> (1,111)
S4249

>  <Synonyms> (1,111)
N/A

>  <Target> (1,111)
5-HT Receptor

>  <Form> (1,111)
Free Base

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

>  <CAS Number> (1,111)
2295-58-1

$$$$
S4246.cdx
csChFnd80/10101813202D

 12 11  0  0  0  0  0  0  0  0999 V2000
    2.5079    5.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,112)
1873

>  <Formula> (1,112)
C9H12ClNR

>  <MolWeight> (1,112)
169.65128

>  <Item Name> (1,112)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,112)
S4246

>  <Synonyms> (1,112)
N/A

>  <Target> (1,112)
MAO

>  <Form> (1,112)
Hydrochloride

>  <URL> (1,112)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,112)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9745    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5745    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 11 16  2  0  0  0  0
 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,113)
1874

>  <Formula> (1,113)
C11H12N4O3S

>  <MolWeight> (1,113)
280.30298

>  <Item Name> (1,113)
Sulfamethoxypyridazine

>  <Catalog Number> (1,113)
S4250

>  <Synonyms> (1,113)
N/A

>  <Target> (1,113)
Antifection

>  <Form> (1,113)
Free Base

>  <URL> (1,113)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,113)
80-35-3

$$$$
Mechlorethamine HCl.cdx
csChFnd80/10101813202D

  9  7  0  0  0  0  0  0  0  0999 V2000
    7.2744    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0713    0.5795    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,114)
1876

>  <Formula> (1,114)
C5H12Cl3N

>  <MolWeight> (1,114)
192.51448

>  <Item Name> (1,114)
Mechlorethamine HCl

>  <Catalog Number> (1,114)
S4252

>  <Synonyms> (1,114)
N/A

>  <Target> (1,114)
DNA/RNA Synthesis

>  <Form> (1,114)
Hydrochloride

>  <URL> (1,114)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,114)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.5193    3.9909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    3.6741    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4917    2.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8842    1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5193    0.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3992    5.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813    5.9355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5934    4.8866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6730    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0691    0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6764    1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    2.5227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867    6.0943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1867    7.4943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9744    8.1943    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4 11  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  6 18  2  0  0  0  0
  7 15  2  0  0  0  0
  8 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,115)
1877

>  <Formula> (1,115)
C16H16ClN3

>  <MolWeight> (1,115)
285.77134

>  <Item Name> (1,115)
Epinastine HCl

>  <Catalog Number> (1,115)
S4253

>  <Synonyms> (1,115)
N/A

>  <Target> (1,115)
Histamine Receptor

>  <Form> (1,115)
Hydrochloride

>  <URL> (1,115)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (1,115)
108929-04-0

$$$$
Latrepirdine.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
   12.0379    7.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1705    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7379    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3378    9.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4013   10.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0365   10.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5992    9.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5357    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9052    8.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6748   10.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5400    8.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4768    9.2555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0441   10.5870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0379    6.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2461    5.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4586    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2461    4.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0337    3.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0337    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2462    1.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4585    2.0952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2462    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054   11.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9777   11.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7227   24.9738    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.9738    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
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  1  0  0  0  0
 15 17  1  0  0  0  0
  1 14  1  0  0  0  0
  6 23  1  0  0  0  0
 13 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,116)
1885

>  <Formula> (1,116)
C21H27Cl2N3

>  <MolWeight> (1,116)
392.36518

>  <Item Name> (1,116)
Latrepirdine 2HCl

>  <Catalog Number> (1,116)
S1245

>  <Synonyms> (1,116)
Dimebolin

>  <Target> (1,116)
GluR

>  <Form> (1,116)
Dihydrochloride

>  <URL> (1,116)
http://www.selleckchem.com/products/Dimebon.html

>  <CAS Number> (1,116)
97657-92-6

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    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
    3.6331    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8702    1.3927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0827    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    0.6927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2713    4.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0784    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620    6.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2909    4.1903    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
  8 10  2  0  0  0  0
  7 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 12  9  1  6  0  0  0
 15 20  1  1  0  0  0
 13 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,117)
1887

>  <Formula> (1,117)
C16H17N3O4S

>  <MolWeight> (1,117)
347.38888

>  <Item Name> (1,117)
Cephalexin (Cefalexin)

>  <Catalog Number> (1,117)
S1502

>  <Synonyms> (1,117)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

>  <Target> (1,117)
Antifection

>  <Form> (1,117)
Free Base

>  <URL> (1,117)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (1,117)
15686-71-2

$$$$
Bazedoxifene acetate.cdx
csChFnd80/10101813202D

 39 42  0  0  0  0  0  0  0  0999 V2000
    5.7580    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7580    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9705    5.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1829    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1829    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9705    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5144    5.4812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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Estrogen/progestogen Receptor

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Acetate

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http://www.selleckchem.com/products/Bazedoxifene-acetate.html

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198481-33-3

$$$$
OC000459.cdx
csChFnd80/10101813202D

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OC000459

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N/A

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GPR
GPR

>  <Form> (1,119)
Free Base

>  <URL> (1,119)
http://www.selleckchem.com/products/oc000459.html

>  <CAS Number> (1,119)
851723-84-7, 950688-14-9 (sodium salt)

$$$$
Verapamil HCl.cdx
csChFnd80/10101813202D

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Verapamil HCl

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S4202

>  <Synonyms> (1,120)
N/A

>  <Target> (1,120)
Calcium Channel

>  <Form> (1,120)
Hydrochloride

>  <URL> (1,120)
http://www.selleckchem.com/products/verapami-hcl.html

>  <CAS Number> (1,120)
152-11-4

$$$$
VX-745.cdx
csChFnd80/10101813202D

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p38 MAPK 

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>  <CAS Number> (1,121)
209410-46-8

$$$$
untitled.cdx
csChFnd80/10101813202D

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Akt

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35943-35-2

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csChFnd80/10101813202D

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JAK

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935666-88-9, 1260222-79-4 (TFA)

$$$$
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csChFnd80/10101813202D

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Quinacrine 2HCl

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>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
Phospholipase (e.g. PLA)

>  <Form> (1,124)
Dihydrochloride

>  <URL> (1,124)
http://www.selleckchem.com/products/quinacrine-2hcl.html

>  <CAS Number> (1,124)
69-05-6

$$$$
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Binimetinib (MEK162, ARRY-162, ARRY-438162)

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606143-89-9

$$$$
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M  END
>  <Mol_ID> (1,126)
1907

>  <Formula> (1,126)
C24H26N4O

>  <MolWeight> (1,126)
386.48944

>  <Item Name> (1,126)
TIC10 analogue

>  <Catalog Number> (1,126)
S7127

>  <Synonyms> (1,126)
TRAIL-inducing Compound 10

>  <Target> (1,126)
Akt

>  <Form> (1,126)
Free Base

>  <URL> (1,126)
http://www.selleckchem.com/products/tic10.html

>  <CAS Number> (1,126)
41276-02-2

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,127)
1908

>  <Formula> (1,127)
C22H22ClN5O2

>  <MolWeight> (1,127)
423.89538

>  <Item Name> (1,127)
I-BET-762

>  <Catalog Number> (1,127)
S7189

>  <Synonyms> (1,127)
GSK525762, GSK525762A

>  <Target> (1,127)
Epigenetic Reader Domain

>  <Form> (1,127)
Free Base

>  <URL> (1,127)
http://www.selleckchem.com/products/i-bet-762.html

>  <CAS Number> (1,127)
1260907-17-2

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10101813202D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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 20 16  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,128)
1909

>  <Formula> (1,128)
C16H10BrN3O2

>  <MolWeight> (1,128)
356.1735

>  <Item Name> (1,128)
BIO

>  <Catalog Number> (1,128)
S7198

>  <Synonyms> (1,128)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (1,128)
GSK-3

>  <Form> (1,128)
Free Base

>  <URL> (1,128)
http://www.selleckchem.com/products/bio.html

>  <CAS Number> (1,128)
667463-62-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/10101813202D

 29 28  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
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 21 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,129)
1910

>  <Formula> (1,129)
C18H19Na2O8P

>  <MolWeight> (1,129)
440.291961

>  <Item Name> (1,129)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (1,129)
S7204

>  <Synonyms> (1,129)
N/A

>  <Target> (1,129)
Microtubule Associated

>  <Form> (1,129)
Disodium salt

>  <URL> (1,129)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (1,129)
168555-66-6

$$$$
¦Â-Lapachone (ARQ-501).cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    5.8397    7.2899    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
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 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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  8 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,130)
1917

>  <Formula> (1,130)
C15H14O3

>  <MolWeight> (1,130)
242.26986

>  <Item Name> (1,130)
Beta-Lapachone

>  <Catalog Number> (1,130)
S7261

>  <Synonyms> (1,130)
¦Â-Lapachone, ARQ-501

>  <Target> (1,130)
Topoisomerase

>  <Form> (1,130)
Free Base

>  <URL> (1,130)
http://www.selleckchem.com/products/beta-lapachone.html

>  <CAS Number> (1,130)
4707-32-8

$$$$
AZD1981.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
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N/A

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GPR

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Free Base

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http://www.selleckchem.com/products/azd1981.html

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802904-66-1

$$$$
Bardoxolone Methyl.cdx
csChFnd80/10101813202D

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1927

>  <Formula> (1,132)
C32H43NO4

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>  <Item Name> (1,132)
Bardoxolone Methyl

>  <Catalog Number> (1,132)
S8078

>  <Synonyms> (1,132)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (1,132)
I¦ÊB/IKK

>  <Form> (1,132)
Free Base

>  <URL> (1,132)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (1,132)
218600-53-4

$$$$
CO-1686(AVL-301).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,133)
1935

>  <Formula> (1,133)
C27H28F3N7O3

>  <MolWeight> (1,133)
555.5515296

>  <Item Name> (1,133)
Rociletinib (CO-1686, AVL-301)

>  <Catalog Number> (1,133)
S7284

>  <Synonyms> (1,133)
CNX-419, AVL-301

>  <Target> (1,133)
EGFR

>  <Form> (1,133)
Free Base

>  <URL> (1,133)
http://www.selleckchem.com/products/co-1686.html

>  <CAS Number> (1,133)
1374640-70-6

$$$$
oxethazaine.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,134)
2018

>  <Formula> (1,134)
C28H41N3O3

>  <MolWeight> (1,134)
467.64344

>  <Item Name> (1,134)
oxethazaine

>  <Catalog Number> (1,134)
S4343 

>  <Synonyms> (1,134)
Oxethacaine

>  <Target> (1,134)
Others

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Free Base

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

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126-27-2

$$$$
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130-61-0

$$$$
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csChFnd80/10101813202D

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51543-39-6

$$$$
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113-92-8

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>  <Formula> (1,140)
C14H10Cl4

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>  <Item Name> (1,140)
Mitotane

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S1732

>  <Synonyms> (1,140)
Lysodren, Mitotan

>  <Target> (1,140)
Others

>  <Form> (1,140)
Free Base

>  <URL> (1,140)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

>  <CAS Number> (1,140)
53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,141)
2057

>  <Formula> (1,141)
C20H24N2O6

>  <MolWeight> (1,141)
388.41436

>  <Item Name> (1,141)
Nisoldipine

>  <Catalog Number> (1,141)
S1748

>  <Synonyms> (1,141)
Zadipina

>  <Target> (1,141)
Calcium Channel

>  <Form> (1,141)
Free Base

>  <URL> (1,141)
http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (1,141)
63675-72-9

$$$$
Rifabutin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,142)
2059

>  <Formula> (1,142)
C46H62N4O11

>  <MolWeight> (1,142)
847.00468

>  <Item Name> (1,142)
Rifabutin

>  <Catalog Number> (1,142)
S1741

>  <Synonyms> (1,142)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1,142)
Antifection

>  <Form> (1,142)
Free Base

>  <URL> (1,142)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1,142)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,143)
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>  <Formula> (1,143)
C43H58N4O12

>  <MolWeight> (1,143)
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>  <Item Name> (1,143)
Rifampin

>  <Catalog Number> (1,143)
S1764

>  <Synonyms> (1,143)
Rifampicin

>  <Target> (1,143)
DNA/RNA Synthesis

>  <Form> (1,143)
Free Base

>  <URL> (1,143)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,143)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,144)
2061

>  <Formula> (1,144)
C47H64N4O12

>  <MolWeight> (1,144)
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>  <Item Name> (1,144)
Rifapentine

>  <Catalog Number> (1,144)
S1760

>  <Synonyms> (1,144)
Cyclopentylrifampicin

>  <Target> (1,144)
DNA/RNA Synthesis

>  <Form> (1,144)
Free Base

>  <URL> (1,144)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,144)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,145)
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>  <Formula> (1,145)
C24H32O4S

>  <MolWeight> (1,145)
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>  <Item Name> (1,145)
spironolactone

>  <Catalog Number> (1,145)
S4054

>  <Synonyms> (1,145)
N/A

>  <Target> (1,145)
Androgen Receptor

>  <Form> (1,145)
Free Base

>  <URL> (1,145)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,145)
52-01-7

$$$$
Alizapride hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,146)
2065

>  <Formula> (1,146)
C16H22ClN5O2

>  <MolWeight> (1,146)
351.83118

>  <Item Name> (1,146)
Alizapride hydrochloride

>  <Catalog Number> (1,146)
S4257 

>  <Synonyms> (1,146)
N/A

>  <Target> (1,146)
Dopamine Receptor

>  <Form> (1,146)
hydrochloride

>  <URL> (1,146)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,146)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/10101813202D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,147)
2066

>  <Formula> (1,147)
C15H16BrN5O6

>  <MolWeight> (1,147)
442.22144

>  <Item Name> (1,147)
Brimonidine Tartrate

>  <Catalog Number> (1,147)
S4266

>  <Synonyms> (1,147)
N/A

>  <Target> (1,147)
Adrenergic Receptor

>  <Form> (1,147)
Tartrate

>  <URL> (1,147)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,147)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,148)
2067

>  <Formula> (1,148)
C21H32ClN5O2

>  <MolWeight> (1,148)
421.96408

>  <Item Name> (1,148)
Buspirone hydrochloride

>  <Catalog Number> (1,148)
S4256 

>  <Synonyms> (1,148)
N/A

>  <Target> (1,148)
5-HT Receptor

>  <Form> (1,148)
Hydrochloride

>  <URL> (1,148)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,148)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,149)
2068

>  <Formula> (1,149)
C19H12O8

>  <MolWeight> (1,149)
368.29378

>  <Item Name> (1,149)
Diacerein

>  <Catalog Number> (1,149)
S4267 

>  <Synonyms> (1,149)
N/A

>  <Target> (1,149)
IL Receptor

>  <Form> (1,149)
Free Base

>  <URL> (1,149)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,149)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/10101813202D

 35 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,150)
2069

>  <Formula> (1,150)
C25H32F3N3O4

>  <MolWeight> (1,150)
495.5344896

>  <Item Name> (1,150)
Silodosin

>  <Catalog Number> (1,150)
S1613

>  <Synonyms> (1,150)
N/A

>  <Target> (1,150)
Adrenergic Recepto

>  <Form> (1,150)
Free Base

>  <URL> (1,150)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,150)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,151)
2070

>  <Formula> (1,151)
C22H29FN3O9P

>  <MolWeight> (1,151)
529.4525242

>  <Item Name> (1,151)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (1,151)
S2794

>  <Synonyms> (1,151)
N/A

>  <Target> (1,151)
DNA/RNA Synthesis

>  <Form> (1,151)
Free Base

>  <URL> (1,151)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (1,151)
1190307-88-0

$$$$
Ebastine.cdx
csChFnd80/10101813202D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,152)
2071

>  <Formula> (1,152)
C32H39NO2

>  <MolWeight> (1,152)
469.65756

>  <Item Name> (1,152)
Ebastine

>  <Catalog Number> (1,152)
S4262 

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
Others

>  <Form> (1,152)
Free Base

>  <URL> (1,152)
http://www.selleckchem.com/products/ebastine.html

>  <CAS Number> (1,152)
90729-43-4

$$$$
Efaproxiral sodium.cdx
csChFnd80/10101813202D

 26 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,153)
2072

>  <Formula> (1,153)
C20H22NNaO4

>  <MolWeight> (1,153)
363.38275

>  <Item Name> (1,153)
Efaproxiral sodium

>  <Catalog Number> (1,153)
S4263 

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
Others

>  <Form> (1,153)
Sodium salt

>  <URL> (1,153)
http://www.selleckchem.com/products/efaproxiral-sodium.html

>  <CAS Number> (1,153)
170787-99-2

$$$$
Etofibrate.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,154)
2073

>  <Formula> (1,154)
C18H18ClNO5

>  <MolWeight> (1,154)
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>  <Item Name> (1,154)
Etofibrate

>  <Catalog Number> (1,154)
S4264 

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
Others

>  <Form> (1,154)
Free Base

>  <URL> (1,154)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (1,154)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,155)
2074

>  <Formula> (1,155)
C14H10F3NO2

>  <MolWeight> (1,155)
281.2299096

>  <Item Name> (1,155)
Flufenamic acid

>  <Catalog Number> (1,155)
S4268 

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
COX

>  <Form> (1,155)
Free Base

>  <URL> (1,155)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (1,155)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,156)
2075

>  <Formula> (1,156)
C14H9Cl2N3S2

>  <MolWeight> (1,156)
354.27736

>  <Item Name> (1,156)
Luliconazole

>  <Catalog Number> (1,156)
S4258 

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
Antifection

>  <Form> (1,156)
Free Base

>  <URL> (1,156)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (1,156)
187164-19-8

$$$$
Nicaraven.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,157)
2076

>  <Formula> (1,157)
C15H16N4O2

>  <MolWeight> (1,157)
284.31314

>  <Item Name> (1,157)
Nicaraven

>  <Catalog Number> (1,157)
S4265 

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
Others

>  <Form> (1,157)
Free Base

>  <URL> (1,157)
http://www.selleckchem.com/products/nicaraven.html

>  <CAS Number> (1,157)
79455-30-4

$$$$
Tamibarotene.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,158)
2077

>  <Formula> (1,158)
C22H25NO3

>  <MolWeight> (1,158)
351.4388

>  <Item Name> (1,158)
Tamibarotene

>  <Catalog Number> (1,158)
S4260 

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
Retinoid Receptor

>  <Form> (1,158)
Free Base

>  <URL> (1,158)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (1,158)
94497-51-5

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/10101813202D

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Vilazodone Hydrochloride

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S4259 

>  <Synonyms> (1,159)
N/A

>  <Target> (1,159)
Others

>  <Form> (1,159)
Hydrochloride

>  <URL> (1,159)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (1,159)
163521-08-2

$$$$
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XL139

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Hedgehog/Smoothened

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Free Base

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http://www.selleckchem.com/products/bms-833923.html

>  <CAS Number> (1,160)
1059734-66-5

$$$$
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E7438

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Histone Methyltransferase

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http://www.selleckchem.com/products/epz-6438.html

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1403254-99-8

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JAK

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937272-79-2

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csChFnd80/10101813202D

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500287-72-9

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1393477-72-9

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1243244-14-5

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BET

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202590-98-5

$$$$
LX1606.cdx
csChFnd80/10101813202D

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>  <Formula> (1,176)
C36H35ClF3N7O6

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LX1606 hippurate

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>  <Synonyms> (1,176)
Telotristat Etiprate

>  <Target> (1,176)
Hydroxylase

>  <Form> (1,176)
Hippuric acid

>  <URL> (1,176)
http://www.selleckchem.com/products/telotristat-etiprate-lx-1606-hippurate.html

>  <CAS Number> (1,176)
11137608-69-5

$$$$
GS-9973.cdx
csChFnd80/10101813202D

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2176

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C23H21N7O

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Entospletinib (GS-9973)

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Syk

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Free Base

>  <URL> (1,177)
http://www.selleckchem.com/products/gs-9973.html

>  <CAS Number> (1,177)
1229208-44-9

$$$$
Vinorelbine tartrate.cdx
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>  <Target> (1,178)
Microtubule Associated

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Tartrate

>  <URL> (1,178)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

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125317-39-7

$$$$
Trelagliptin.cdx
csChFnd80/10101813202D

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Trelagliptin

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S7513

>  <Synonyms> (1,179)
SYR-472

>  <Target> (1,179)
DPP-4

>  <Form> (1,179)
Free Base

>  <URL> (1,179)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,179)
865759-25-7

$$$$
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csChFnd80/10101813202D

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>  <Item Name> (1,180)
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>  <Synonyms> (1,180)
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>  <Target> (1,180)
EGFR

>  <Form> (1,180)
Free Base

>  <URL> (1,180)
http://www.selleckchem.com/products/azd9291.html

>  <CAS Number> (1,180)
1421373-65-0

$$$$
Almorexant HCl.cdx
csChFnd80/10101813202D

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913358-93-7

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GABA Receptor

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

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62613-82-5

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C22H26FN3O2

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GW856553X, GW856553, GSK-AHAB

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p38 MAPK

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Free Base

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

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585543-15-3

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http://www.selleckchem.com/products/avelestat-azd9668.html

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848141-11-7

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Darapladib (SB-480848)

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S7520

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Phospholipase (e.g. PLA)

>  <Form> (1,185)
Free Base

>  <URL> (1,185)
http://www.selleckchem.com/products/darapladib-sb-480848.html

>  <CAS Number> (1,185)
356057-34-6

$$$$
Vincristine Sulfate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,186)
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>  <Formula> (1,186)
C46H58N4O14S

>  <MolWeight> (1,186)
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>  <Item Name> (1,186)
Vincristine Sulfate

>  <Catalog Number> (1,186)
S1241

>  <Synonyms> (1,186)
Leurocristine

>  <Target> (1,186)
Microtubule Associ

>  <Form> (1,186)
Free Base

>  <URL> (1,186)
http://www.selleckchem.com/products/Vincristine-Sulfate.html

>  <CAS Number> (1,186)
2068-78-2

$$$$
EMD 1214063.cdx
csChFnd80/10101813202D

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2228

>  <Formula> (1,187)
C29H28N6O2

>  <MolWeight> (1,187)
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>  <Item Name> (1,187)
Tepotinib (EMD 1214063)

>  <Catalog Number> (1,187)
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>  <Synonyms> (1,187)
N/A

>  <Target> (1,187)
c-Met

>  <Form> (1,187)
Free Base

>  <URL> (1,187)
http://www.selleckchem.com/products/emd-1214063.html

>  <CAS Number> (1,187)
1100598-32-0

$$$$
Tenatoprazole.cdx
csChFnd80/10101813202D

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Proton Pump

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Free Base

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

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113712-98-4

$$$$
Refametinib (RDEA119, Bay 86-9766) .cdx
csChFnd80/10101813202D

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C19H20F3IN2O5S

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Refametinib (RDEA119, Bay 86-9766)

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BAY 869766

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MEK

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Free Base

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http://www.selleckchem.com/products/refametinib-rdea119-bay86-9766.html

>  <CAS Number> (1,189)
923032-37-5

$$$$
BAY57-1293.cdx
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2252

>  <Formula> (1,190)
C18H18N4O3S2

>  <MolWeight> (1,190)
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Pritelivir (BAY 57-1293)

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N/A

>  <Target> (1,190)
DNA/RNA Synthesis

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Free Base

>  <URL> (1,190)
http://www.selleckchem.com/products/bay-57-1293.html

>  <CAS Number> (1,190)
348086-71-5

$$$$
BMS863233.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,191)
2253

>  <Formula> (1,191)
C14H13Cl2N3O2

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XL413 (BMS-863233)

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S7547

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N/A

>  <Target> (1,191)
CDK

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Free Base

>  <URL> (1,191)
http://www.selleckchem.com/products/xl413-bms-863233.html

>  <CAS Number> (1,191)
1169562-71-3

$$$$
Meclofenoxate HCl.cdx
csChFnd80/10101813202D

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>  <Formula> (1,192)
C12H17Cl2NO3

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Meclofenoxate (Centrophenoxine) HCl

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S4280

>  <Synonyms> (1,192)
N/A

>  <Target> (1,192)
Transferase

>  <Form> (1,192)
Hydrochloride

>  <URL> (1,192)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (1,192)
3685-84-5

$$$$
Ospemifene.cdx
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M  END
>  <Mol_ID> (1,193)
2261

>  <Formula> (1,193)
C24H23ClO2

>  <MolWeight> (1,193)
378.89122

>  <Item Name> (1,193)
Ospemifene

>  <Catalog Number> (1,193)
S4285

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
Estrogen/progestogen Receptor

>  <Form> (1,193)
Free Base

>  <URL> (1,193)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (1,193)
128607-22-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,194)
2264

>  <Formula> (1,194)
C33H49N3O7S2

>  <MolWeight> (1,194)
663.88806

>  <Item Name> (1,194)
Nelfinavir Mesylate

>  <Catalog Number> (1,194)
S4282

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
HIV Protease

>  <Form> (1,194)
Mesylate

>  <URL> (1,194)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,194)
159989-65-8

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/10101813202D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,195)
2266

>  <Formula> (1,195)
C13H20Cl2N2O2

>  <MolWeight> (1,195)
307.2161

>  <Item Name> (1,195)
Chloroprocaine HCl

>  <Catalog Number> (1,195)
S4284

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
Sodium Channel

>  <Form> (1,195)
Hydrochloride

>  <URL> (1,195)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,195)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,196)
2267

>  <Formula> (1,196)
C16H25ClN2O3

>  <MolWeight> (1,196)
328.8343

>  <Item Name> (1,196)
Carteolol HCl

>  <Catalog Number> (1,196)
S4278

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Adrenergic Receptor

>  <Form> (1,196)
Hydrochloride

>  <URL> (1,196)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,196)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/10101813202D

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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
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 14  9  1  0  0  0  0
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  6 20  1  0  0  0  0
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  9 31  1  6  0  0  0
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 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,197)
2268

>  <Formula> (1,197)
C21H22Cl2N2O8

>  <MolWeight> (1,197)
501.31398

>  <Item Name> (1,197)
Demeclocycline HCl

>  <Catalog Number> (1,197)
S4279

>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
Antifection

>  <Form> (1,197)
Hydrochloride

>  <URL> (1,197)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,197)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/10101813202D

 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
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  3 16  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,198)
2269

>  <Formula> (1,198)
C20H22ClN

>  <MolWeight> (1,198)
311.84838

>  <Item Name> (1,198)
Cyclobenzaprine HCl

>  <Catalog Number> (1,198)
S4283

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
5-HT Receptor

>  <Form> (1,198)
Hydrochloride

>  <URL> (1,198)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,198)
6202-23-9

$$$$
Anidulafungin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,199)
2272

>  <Formula> (1,199)
C58H73N7O17

>  <MolWeight> (1,199)
1140.23692

>  <Item Name> (1,199)
Anidulafungin (LY303366)

>  <Catalog Number> (1,199)
S4286

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
Antifection

>  <Form> (1,199)
Free Base

>  <URL> (1,199)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,199)
166663-25-8

$$$$
Bambuterol HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,200)
2274

>  <Formula> (1,200)
C18H30ClN3O5

>  <MolWeight> (1,200)
403.9009

>  <Item Name> (1,200)
Bambuterol HCl

>  <Catalog Number> (1,200)
S4277

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
Adrenergic Receptor

>  <Form> (1,200)
Hydrochloride

>  <URL> (1,200)
http://www.selleckchem.com/products/bambuterol-hci.html

>  <CAS Number> (1,200)
81732-46-9

$$$$
Promethazine hydrochloride.cdx
csChFnd80/10101813202D

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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,201)
2277

>  <Formula> (1,201)
C17H21ClN2S

>  <MolWeight> (1,201)
320.88004

>  <Item Name> (1,201)
Promethazine HCl

>  <Catalog Number> (1,201)
S4293

>  <Synonyms> (1,201)
N/A

>  <Target> (1,201)
Histamine Receptor

>  <Form> (1,201)
Hydrochloride

>  <URL> (1,201)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,201)
58-33-3

$$$$
MetoclopraMide HCl.cdx
csChFnd80/10101813202D

 21 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,202)
2279

>  <Formula> (1,202)
C14H23Cl2N3O2

>  <MolWeight> (1,202)
336.25732

>  <Item Name> (1,202)
MetoclopraMide HCl

>  <Catalog Number> (1,202)
S4289

>  <Synonyms> (1,202)
N/A

>  <Target> (1,202)
Dopamine Receptor

>  <Form> (1,202)
Hydrochloride

>  <URL> (1,202)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,202)
7232-21-5

$$$$
Micafungin sodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,203)
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>  <Formula> (1,203)
C56H70N9NaO23S

>  <MolWeight> (1,203)
1292.25627

>  <Item Name> (1,203)
Micafungin Sodium

>  <Catalog Number> (1,203)
S4287

>  <Synonyms> (1,203)
FK463 Sodium

>  <Target> (1,203)
Antifection

>  <Form> (1,203)
Sodium Salt

>  <URL> (1,203)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (1,203)
208538-73-2

$$$$
Zotarolimus.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,204)
2281

>  <Formula> (1,204)
C52H79N5O12

>  <MolWeight> (1,204)
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>  <Item Name> (1,204)
Zotarolimus (ABT-578)

>  <Catalog Number> (1,204)
S7091

>  <Synonyms> (1,204)
N/A

>  <Target> (1,204)
mTOR

>  <Form> (1,204)
Free Base

>  <URL> (1,204)
http://www.selleckchem.com/products/zotarolimus-abt-578.html

>  <CAS Number> (1,204)
221877-54-9

$$$$
Rotigotine.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,205)
2282

>  <Formula> (1,205)
C19H25NOS

>  <MolWeight> (1,205)
315.4729

>  <Item Name> (1,205)
Rotigotine

>  <Catalog Number> (1,205)
S4274

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
Dopamine Receptor

>  <Form> (1,205)
Free Base

>  <URL> (1,205)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (1,205)
99755-59-6

$$$$
N6022.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,206)
2286

>  <Formula> (1,206)
C24H22N4O3

>  <MolWeight> (1,206)
414.45648

>  <Item Name> (1,206)
N6022

>  <Catalog Number> (1,206)
S7589

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
Others

>  <Form> (1,206)
Free Base

>  <URL> (1,206)
http://www.selleckchem.com/products/n6022.html

>  <CAS Number> (1,206)
1208315-24-5

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,207)
2287

>  <Formula> (1,207)
C21H28ClNO

>  <MolWeight> (1,207)
345.90612

>  <Item Name> (1,207)
Diphenidol HCl

>  <Catalog Number> (1,207)
S4292

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
AChR

>  <Form> (1,207)
Hydrochloride

>  <URL> (1,207)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,207)
3254-89-5

$$$$
Digoxin .cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,208)
2289

>  <Formula> (1,208)
C41H64O14

>  <MolWeight> (1,208)
780.93846

>  <Item Name> (1,208)
Digoxin

>  <Catalog Number> (1,208)
S4290

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
Sodium Channel

>  <Form> (1,208)
Free Base

>  <URL> (1,208)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,208)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,209)
2290

>  <Formula> (1,209)
C19H12O6

>  <MolWeight> (1,209)
336.29498

>  <Item Name> (1,209)
Dicoumarol

>  <Catalog Number> (1,209)
S4299

>  <Synonyms> (1,209)
Dicumarol

>  <Target> (1,209)
Others

>  <Form> (1,209)
Free Base

>  <URL> (1,209)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,209)
66-76-2

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10101813202D

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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,210)
2293

>  <Formula> (1,210)
C13H22ClN3O

>  <MolWeight> (1,210)
271.78628

>  <Item Name> (1,210)
Procainamide HCl

>  <Catalog Number> (1,210)
S4294

>  <Synonyms> (1,210)
N/A

>  <Target> (1,210)
Sodium Channel

>  <Form> (1,210)
Hydrochloride

>  <URL> (1,210)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,210)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/10101813202D

 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
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    6.0622    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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    1.2124    4.3680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  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
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 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,211)
2294

>  <Formula> (1,211)
C19H25ClN2O3

>  <MolWeight> (1,211)
364.8664

>  <Item Name> (1,211)
Labetalol HCl

>  <Catalog Number> (1,211)
S4291

>  <Synonyms> (1,211)
N/A

>  <Target> (1,211)
Adrenergic Receptor

>  <Form> (1,211)
Hydrochloride

>  <URL> (1,211)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,211)
32780-64-6

$$$$
Amifostine .cdx
csChFnd80/10101813202D

 15 11  0  0  0  0  0  0  0  0999 V2000
    9.7763    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7477    1.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0779    1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4367    1.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4082    2.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7669    2.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7384    3.0207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0972    2.6835    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   19.4344    4.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7599    1.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4559    2.3463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    1.9572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,212)
2297

>  <Formula> (1,212)
C5H21N2O6PS

>  <MolWeight> (1,212)
268.268801

>  <Item Name> (1,212)
Amifostine

>  <Catalog Number> (1,212)
S4298

>  <Synonyms> (1,212)
N/A

>  <Target> (1,212)
Others

>  <Form> (1,212)
Trihydrate

>  <URL> (1,212)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (1,212)
112901-68-5

$$$$
Meclofenamate sodium.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 13  8  1  0  0  0  0
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  4 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,213)
2298

>  <Formula> (1,213)
C14H10Cl2NNaO2

>  <MolWeight> (1,213)
318.13047

>  <Item Name> (1,213)
Meclofenamate sodium

>  <Catalog Number> (1,213)
S4295

>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
COX

>  <Form> (1,213)
Sodium Salt

>  <URL> (1,213)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,213)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
    9.3903    5.0511    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1702    6.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630    5.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5898    5.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970    6.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    7.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7961    4.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167    5.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0257    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8172    7.6378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2349    7.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  2  1  0  0  0  0
  5  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 11  6  1  0  0  0  0
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 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  6  0  0  0
M  END
>  <Mol_ID> (1,214)
2299

>  <Formula> (1,214)
C17H17ClF6N2O

>  <MolWeight> (1,214)
414.7730992

>  <Item Name> (1,214)
Mefloquine HCl

>  <Catalog Number> (1,214)
S4420

>  <Synonyms> (1,214)
N/A

>  <Target> (1,214)
Antifection

>  <Form> (1,214)
Hydrochloride

>  <URL> (1,214)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,214)
51773-92-3

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/10101813202D

 86 85  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4913    9.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,215)
2302

>  <Formula> (1,215)
C64H110N6O16

>  <MolWeight> (1,215)
1219.5888

>  <Item Name> (1,215)
Aliskiren Hemifumarate

>  <Catalog Number> (1,215)
S2199

>  <Synonyms> (1,215)
N/A

>  <Target> (1,215)
RAAS

>  <Form> (1,215)
fumarate salt

>  <URL> (1,215)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,215)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,216)
2303

>  <Formula> (1,216)
C27H31ClN2O6S

>  <MolWeight> (1,216)
547.06284

>  <Item Name> (1,216)
Bepotastine Besilate

>  <Catalog Number> (1,216)
S3037

>  <Synonyms> (1,216)
N/A

>  <Target> (1,216)
Histamine Receptor

>  <Form> (1,216)
Besilate salt

>  <URL> (1,216)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,216)
190786-44-8

$$$$
Biapenem.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,217)
2304

>  <Formula> (1,217)
C15H18N4O4S

>  <MolWeight> (1,217)
350.39282

>  <Item Name> (1,217)
Biapenem

>  <Catalog Number> (1,217)
S1370

>  <Synonyms> (1,217)
L-627, LJC10627

>  <Target> (1,217)
Antifection

>  <Form> (1,217)
Free Base

>  <URL> (1,217)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (1,217)
120410-24-4

$$$$
Caspofungin acetate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,218)
2306

>  <Formula> (1,218)
C56H96N10O19

>  <MolWeight> (1,218)
1213.41704

>  <Item Name> (1,218)
Caspofungin Acetate

>  <Catalog Number> (1,218)
S3073

>  <Synonyms> (1,218)
N/A

>  <Target> (1,218)
Antifection

>  <Form> (1,218)
diacetate

>  <URL> (1,218)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (1,218)
179463-17-3

$$$$
Daptomycin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,219)
2307

>  <Formula> (1,219)
C72H101N17O26

>  <MolWeight> (1,219)
1620.67064

>  <Item Name> (1,219)
Daptomycin

>  <Catalog Number> (1,219)
S1373

>  <Synonyms> (1,219)
LY146032

>  <Target> (1,219)
Others

>  <Form> (1,219)
Free Base

>  <URL> (1,219)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,219)
103060-53-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,220)
2308

>  <Formula> (1,220)
C15H26N4O7S2

>  <MolWeight> (1,220)
438.51954

>  <Item Name> (1,220)
Doripenem Hydrate

>  <Catalog Number> (1,220)
S1374

>  <Synonyms> (1,220)
S-4661

>  <Target> (1,220)
Antifection

>  <Form> (1,220)
Hydrate

>  <URL> (1,220)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (1,220)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,221)
2309

>  <Formula> (1,221)
C30H41NO7

>  <MolWeight> (1,221)
527.64904

>  <Item Name> (1,221)
Fesoterodine Fumarate

>  <Catalog Number> (1,221)
S2240

>  <Synonyms> (1,221)
N/A

>  <Target> (1,221)
AChR

>  <Form> (1,221)
Fumarate

>  <URL> (1,221)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (1,221)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,222)
2310

>  <Formula> (1,222)
C37H56F7N6O16P

>  <MolWeight> (1,222)
1004.8337234

>  <Item Name> (1,222)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,222)
S3038

>  <Synonyms> (1,222)
MK-0517

>  <Target> (1,222)
Others

>  <Form> (1,222)
dimeglumine salt

>  <URL> (1,222)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,222)
265121-04-8

$$$$
INVEGA (paliperidone).cdx
csChFnd80/10101813202D

 31 35  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,223)
2311

>  <Formula> (1,223)
C23H27FN4O3

>  <MolWeight> (1,223)
426.4838832

>  <Item Name> (1,223)
Paliperidone

>  <Catalog Number> (1,223)
S1724

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
Dopamine Receptor

>  <Form> (1,223)
Free Base

>  <URL> (1,223)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (1,223)
144598-75-4

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 29  1  1  0  0  0
 24 30  1  0  0  0  0
 16 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,224)
2313

>  <Formula> (1,224)
C22H26ClF2NO4

>  <MolWeight> (1,224)
441.8959464

>  <Item Name> (1,224)
Nebivolol HCl

>  <Catalog Number> (1,224)
S1549

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
Adrenergic Receptor

>  <Form> (1,224)
Hydrochloride

>  <URL> (1,224)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,224)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/10101813202D

 51 48  0  0  0  0  0  0  0  0999 V2000
    9.0948    4.5316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2785    5.1587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.4579    4.4833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2516    6.5794    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2458    2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6822    5.1751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,225)
2314

>  <Formula> (1,225)
C29H60O20

>  <MolWeight> (1,225)
728.7747

>  <Item Name> (1,225)
Ouabain

>  <Catalog Number> (1,225)
S4016

>  <Synonyms> (1,225)
N/A

>  <Target> (1,225)
Sodium Channel

>  <Form> (1,225)
Free Base

>  <URL> (1,225)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,225)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,226)
2315

>  <Formula> (1,226)
C44H69NO12

>  <MolWeight> (1,226)
804.01816

>  <Item Name> (1,226)
Tacrolimus (FK506)

>  <Catalog Number> (1,226)
S5003

>  <Synonyms> (1,226)
FR900506

>  <Target> (1,226)
mTOR

>  <Form> (1,226)
Free Base

>  <URL> (1,226)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,226)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,227)
2316

>  <Formula> (1,227)
C44H54CaF2N6O12S2

>  <MolWeight> (1,227)
1001.1373664

>  <Item Name> (1,227)
Rosuvastatin Calcium

>  <Catalog Number> (1,227)
S2169

>  <Synonyms> (1,227)
ZD4522

>  <Target> (1,227)
HMG-CoA Reductase

>  <Form> (1,227)
Calcium salt

>  <URL> (1,227)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,227)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,228)
2317

>  <Formula> (1,228)
C17H18N6

>  <MolWeight> (1,228)
306.36502

>  <Item Name> (1,228)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,228)
S1378

>  <Synonyms> (1,228)
N/A

>  <Target> (1,228)
JAK

>  <Form> (1,228)
Free Base

>  <URL> (1,228)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,228)
941678-49-5

$$$$
Teicoplanin.cdx
csChFnd80/10101813202D

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A   35
R
A  185
?R:?
M  END
>  <Mol_ID> (1,229)
2318

>  <Formula> (1,229)
C135H190Cl2N9O37R2

>  <MolWeight> (1,229)
2601.8972

>  <Item Name> (1,229)
Teicoplanin

>  <Catalog Number> (1,229)
S1399

>  <Synonyms> (1,229)
Teichomycin

>  <Target> (1,229)
Antifection

>  <Form> (1,229)
Free Base

>  <URL> (1,229)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (1,229)
61036-62-2

$$$$
Temsirolimus.cdx
csChFnd80/10101813202D

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>  <Item Name> (1,230)
Temsirolimus (CCI-779, NSC 683864)

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>  <Synonyms> (1,230)
N/A

>  <Target> (1,230)
mTOR

>  <Form> (1,230)
Free Base

>  <URL> (1,230)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,230)
162635-04-3

$$$$
Lomitapide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,231)
2325

>  <Formula> (1,231)
C39H37F6N3O2

>  <MolWeight> (1,231)
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>  <Item Name> (1,231)
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>  <Synonyms> (1,231)
N/A

>  <Target> (1,231)
Others

>  <Form> (1,231)
Free Base

>  <URL> (1,231)
http://www.selleckchem.com/products/lomitapide.html

>  <CAS Number> (1,231)
182431-12-5

$$$$
filgotinib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,232)
2329

>  <Formula> (1,232)
C21H23N5O3S

>  <MolWeight> (1,232)
425.50402

>  <Item Name> (1,232)
Filgotinib£¨GLPG0643)

>  <Catalog Number> (1,232)
S7605

>  <Synonyms> (1,232)
N/A

>  <Target> (1,232)
JAK

>  <Form> (1,232)
Free Base

>  <URL> (1,232)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (1,232)
1206161-97-8

$$$$
Mupirocin .cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,233)
2330

>  <Formula> (1,233)
C26H44O9

>  <MolWeight> (1,233)
500.62216

>  <Item Name> (1,233)
Mupirocin

>  <Catalog Number> (1,233)
S4297

>  <Synonyms> (1,233)
N/A

>  <Target> (1,233)
DNA/RNA Synthesis

>  <Form> (1,233)
Free Base

>  <URL> (1,233)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (1,233)
12650-69-0

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,234)
2334

>  <Formula> (1,234)
C38H65NO14

>  <MolWeight> (1,234)
759.921

>  <Item Name> (1,234)
Erythromycin Cyclocarbonate

>  <Catalog Number> (1,234)
S7550

>  <Synonyms> (1,234)
N/A

>  <Target> (1,234)
Antifection

>  <Form> (1,234)
Free Base

>  <URL> (1,234)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (1,234)
55224-05-0

$$$$
LCL161.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,235)
2336

>  <Formula> (1,235)
C26H33FN4O3S

>  <MolWeight> (1,235)
500.6286232

>  <Item Name> (1,235)
LCL161

>  <Catalog Number> (1,235)
S7009

>  <Synonyms> (1,235)
N/A

>  <Target> (1,235)
IAP

>  <Form> (1,235)
Free Base

>  <URL> (1,235)
http://www.selleckchem.com/products/lcl161.html

>  <CAS Number> (1,235)
1005342-46-0

$$$$
Tasquinimod .cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,236)
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>  <Formula> (1,236)
C20H17F3N2O4

>  <MolWeight> (1,236)
406.3551896

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Tasquinimod

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S7617

>  <Synonyms> (1,236)
ABR-215050

>  <Target> (1,236)
HDAC

>  <Form> (1,236)
Free Base

>  <URL> (1,236)
http://www.selleckchem.com/products/tasquinimod.html

>  <CAS Number> (1,236)
254964-60-8

$$$$
Salmeterol xinafoate.cdx
csChFnd80/10101813202D

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2342

>  <Formula> (1,237)
C36H45NO7

>  <MolWeight> (1,237)
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>  <Item Name> (1,237)
Salmeterol Xinafoate

>  <Catalog Number> (1,237)
S4296

>  <Synonyms> (1,237)
N/A

>  <Target> (1,237)
Adrenergic Receptor

>  <Form> (1,237)
xinafoate

>  <URL> (1,237)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (1,237)
94749-08-3

$$$$
MG 101.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,238)
2346

>  <Formula> (1,238)
C20H37N3O4

>  <MolWeight> (1,238)
383.52548

>  <Item Name> (1,238)
MG-101 (ALLN)

>  <Catalog Number> (1,238)
S7386

>  <Synonyms> (1,238)
Calpain inhibitor-1

>  <Target> (1,238)
Cysteine Protease

>  <Form> (1,238)
Oxalate

>  <URL> (1,238)
http://www.selleckchem.com/products/mg-101-alln.html

>  <CAS Number> (1,238)
110044-82-1

$$$$
LY2874455.cdx
csChFnd80/10101813202D

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2348

>  <Formula> (1,239)
C21H19Cl2N5O2

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444.31386

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LY2874455

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S7057

>  <Synonyms> (1,239)
N/A

>  <Target> (1,239)
FGFR

>  <Form> (1,239)
Free Base

>  <URL> (1,239)
http://www.selleckchem.com/products/ly2874455.html

>  <CAS Number> (1,239)
1254473-64-7

$$$$
Heparin sodium.cdx
csChFnd80/10101813202D

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    8.0741    5.0646    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7741    3.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1284    4.2070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4745    3.8522    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7746    5.0646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4202    4.7099    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0741    2.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4908    2.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    5.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202    7.3223    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0725    6.2847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8268    4.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0392    4.9145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7392    3.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0936    4.0569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.4397    3.7021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.7398    4.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3853    4.5598    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   15.0292    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0493    1.4997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6869    2.8520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   14.3954    6.9498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4559    2.7046    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8183    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8317    0.3658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1659    0.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1806    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.7919    4.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7819    5.0544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4819    3.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8362    4.1968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.1823    3.8419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.4824    5.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280    4.6997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.2695    3.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1280    6.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4803    6.4620    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   22.8262    3.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4638    1.8545    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.4503    0.8680    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   21.1162    1.4934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8114    2.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3948    4.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6072    5.2419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.3072    4.0295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.6615    4.3843    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0076    4.0295    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.3077    5.2419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  1  0  0  0
  3  2  1  1  0  0  0
  4  3  1  1  0  0  0
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  4 17  1  6  0  0  0
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 29 30  1  0  0  0  0
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 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
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 35 30  1  0  0  0  0
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 36 37  2  0  0  0  0
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 44 46  2  0  0  0  0
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 50 51  1  1  0  0  0
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 54 49  1  0  0  0  0
 50 55  1  0  0  0  0
 54 56  1  0  0  0  0
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 68 67  1  1  0  0  0
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 70 65  1  0  0  0  0
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 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 79 82  2  0  0  0  0
 68 83  1  0  0  0  0
A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (1,240)
2359

>  <Formula> (1,240)
C33H47N3O39R4S6-8

>  <MolWeight> (1,240)
1302.11298

>  <Item Name> (1,240)
Heparin sodium

>  <Catalog Number> (1,240)
S1346

>  <Synonyms> (1,240)
N/A

>  <Target> (1,240)
Others

>  <Form> (1,240)
Sodium salt

>  <URL> (1,240)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (1,240)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/10101813202D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
    3.1062    1.0404    0.0000 Pt  0  0  0  0  0  0  0  5  2  0  0  0
    2.4062    2.2528    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
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    0.8905    0.5694    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    2.1694    0.0000    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    0.0000    2.8953    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    6.5243    3.4968    0.0000 R   0  0  0  0  0  0  0  1  1  1  0  0
    6.5243    0.0697    0.0000 R   0  0  0  0  0  0  0  2  3  1  0  0
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  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (1,241)
2360

>  <Formula> (1,241)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (1,241)
269.11348

>  <Item Name> (1,241)
Nedaplatin

>  <Catalog Number> (1,241)
S1826

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
DNA/RNA Synthesis

>  <Form> (1,241)
Free Base

>  <URL> (1,241)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (1,241)
95734-82-0

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,242)
2361

>  <Formula> (1,242)
C25H31N7O6

>  <MolWeight> (1,242)
525.55694

>  <Item Name> (1,242)
ENMD-2076 L-(+)-Tartaric acid

>  <Catalog Number> (1,242)
S2018

>  <Synonyms> (1,242)
N/A

>  <Target> (1,242)
FLT3

>  <Form> (1,242)
Free Base

>  <URL> (1,242)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

>  <CAS Number> (1,242)
1291074-87-7

$$$$
(R)-Nepicastat HCL(RS-25560-198).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,243)
2364

>  <Formula> (1,243)
C14H16ClF2N3S

>  <MolWeight> (1,243)
331.8117464

>  <Item Name> (1,243)
(R)-Nepicastat HCl

>  <Catalog Number> (1,243)
S4926

>  <Synonyms> (1,243)
RS-25560-198 HCl

>  <Target> (1,243)
Hydroxylase

>  <Form> (1,243)
Hydrochloride

>  <URL> (1,243)
http://www.selleckchem.com/products/r-nepicastat-hcl.html

>  <CAS Number> (1,243)
195881-94-8

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,244)
2376

>  <Formula> (1,244)
C18H29ClN2O

>  <MolWeight> (1,244)
324.88866

>  <Item Name> (1,244)
Levobupivacaine HCl

>  <Catalog Number> (1,244)
S4061

>  <Synonyms> (1,244)
N/A

>  <Target> (1,244)
Sodium Channel

>  <Form> (1,244)
Hydrochloride

>  <URL> (1,244)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (1,244)
27262-48-2

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,245)
2378

>  <Formula> (1,245)
C20H28ClN7O3S

>  <MolWeight> (1,245)
481.99942

>  <Item Name> (1,245)
Cerdulatinib (PRT062070, PRT2070)

>  <Catalog Number> (1,245)
S7634

>  <Synonyms> (1,245)
N/A

>  <Target> (1,245)
JAK

>  <Form> (1,245)
Hydrochloride

>  <URL> (1,245)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

>  <CAS Number> (1,245)
1369761-01-2

$$$$
Obeticholic acid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,246)
2380

>  <Formula> (1,246)
C26H44O4

>  <MolWeight> (1,246)
420.62516

>  <Item Name> (1,246)
Obeticholic Acid

>  <Catalog Number> (1,246)
S7660

>  <Synonyms> (1,246)
INT-747, 6-ECDCA

>  <Target> (1,246)
FXR

>  <Form> (1,246)
Free Base

>  <CAS Number> (1,246)
459789-99-2

$$$$
RG7388.cdx
csChFnd80/10101813202D

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Autophagy

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COX

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http://www.selleckchem.com/products/Ketorolac-Tromethamine(Toradol).html

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74103-07-4

$$$$
3469-LCZ696.cdx
csChFnd80/10101813202D

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>  <Formula> (1,250)
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RAAS

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>  <CAS Number> (1,250)
936623-90-4

$$$$
PF-06463922.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,251)
2387

>  <Formula> (1,251)
C21H19FN6O2

>  <MolWeight> (1,251)
406.4129632

>  <Item Name> (1,251)
PF-06463922

>  <Catalog Number> (1,251)
S7536

>  <Synonyms> (1,251)
N/A

>  <Target> (1,251)
ALK

>  <Form> (1,251)
Free Base

>  <URL> (1,251)
http://www.selleckchem.com/products/pf-06463922.html

>  <CAS Number> (1,251)
1454846-35-5

$$$$
ACILAC (lactulose).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,252)
2388

>  <Formula> (1,252)
C12H22O11

>  <MolWeight> (1,252)
342.29648

>  <Item Name> (1,252)
Lactulose

>  <Catalog Number> (1,252)
S1511

>  <Synonyms> (1,252)
N/A

>  <Target> (1,252)
Others

>  <Form> (1,252)
Free Base

>  <URL> (1,252)
http://www.selleckchem.com/products/Lactulose(Enulose).html

>  <CAS Number> (1,252)
4618-18-2

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,253)
2391

>  <Formula> (1,253)
C49H54F2N8O6

>  <MolWeight> (1,253)
888.9998664

>  <Item Name> (1,253)
Ledipasvir (GS5885)

>  <Catalog Number> (1,253)
S7579

>  <Synonyms> (1,253)
N/A

>  <Target> (1,253)
HCV Protease

>  <Form> (1,253)
Free Base

>  <URL> (1,253)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

>  <CAS Number> (1,253)
1256388-51-8

$$$$
Isepamicin sulfate.cdx
csChFnd80/10101813202D

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Isepamicin Sulphate

>  <Catalog Number> (1,254)
S4271

>  <Synonyms> (1,254)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (1,254)
Antifection

>  <Form> (1,254)
Sulphate

>  <URL> (1,254)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (1,254)
67814-76-0

$$$$
S7668-Picropodophyllin (PPP).cdx
csChFnd80/10101813202D

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>  <Formula> (1,255)
C22H22O8

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Picropodophyllin (PPP)

>  <Catalog Number> (1,255)
S7668

>  <Synonyms> (1,255)
AXL1717

>  <Target> (1,255)
IGF-1R

>  <Form> (1,255)
Free Base

>  <URL> (1,255)
http://www.selleckchem.com/products/picropodophyllin-ppp.html

>  <CAS Number> (1,255)
477-47-4

$$$$
Defactinib.cdx
csChFnd80/10101813202D

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2414

>  <Formula> (1,256)
C20H21F3N8O3S

>  <MolWeight> (1,256)
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>  <Item Name> (1,256)
Defactinib (VS-6063, PF-04554878)

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>  <Synonyms> (1,256)
VS-6063, PF-04554878

>  <Target> (1,256)
FAK

>  <Form> (1,256)
Free Base

>  <URL> (1,256)
http://www.selleckchem.com/products/defactinib.html

>  <CAS Number> (1,256)
1073154-85-4

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/10101813202D

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1092364-38-9

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1230487-00-9

$$$$
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Salirasib.cdx
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162520-00-5

$$$$
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Docetaxel Trihydrate

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RP56976 (NSC 628503) Trihydrate

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Microtubule Associated

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Trihydrate

>  <URL> (1,265)
http://www.selleckchem.com/products/docetaxel-trihydrate.html

>  <CAS Number> (1,265)
148408-66-6

$$$$
Pemetrexed disodium hydrate.cdx
csChFnd80/10101813202D

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M  END
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Pemetrexed Disodium Hydrate

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LY-231514 Disodium Hydrate

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DHFR

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Disodium Hydrate

>  <URL> (1,266)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

>  <CAS Number> (1,266)
357166-30-4

$$$$
LM-3572.cdx
csChFnd80/10101813202D

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>  <Formula> (1,267)
C22H27FN4O2

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Sunitinib

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>  <Synonyms> (1,267)
SU11248

>  <Target> (1,267)
PDGFR

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>  <URL> (1,267)
http://www.selleckchem.com/products/sunitinib.html

>  <CAS Number> (1,267)
557795-19-4

$$$$
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CP358774, NSC 718781

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EGFR

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Free Base

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

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183321-74-6

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PF-2341066.cdx
csChFnd80/10101813202D

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Crizotinib (PF-02341066)

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N/A 

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c-Met, ALK

>  <Form> (1,269)
Free Base

>  <URL> (1,269)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (1,269)
877399-52-5, 877399-53-6 (acetate)

$$$$
PF-00080665.cdx
csChFnd80/10101813202D

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>  <Formula> (1,270)
C26H35N7O6S

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PD 0332991 (Palbociclib) Isethionate

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N/A

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CDK

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Isethionate

>  <URL> (1,270)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

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827022-33-3, 571190-30-2(free base)

$$$$
S-crizotinib.cdx
csChFnd80/10101813202D

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>  <Target> (1,271)
MTH1

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1374356-45-2

$$$$
Combretastatin A4.cdx
csChFnd80/10101813202D

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$$$$
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902135-91-5

$$$$
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>  <Mol_ID> (1,280)
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>  <Formula> (1,280)
C20H15ClF3N5

>  <MolWeight> (1,280)
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Pexidartinib (PLX3397)

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S7818

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
CSF-1R

>  <Form> (1,280)
Free Base

>  <URL> (1,280)
http://www.selleckchem.com/products/pexidartinib-plx3397.html

>  <CAS Number> (1,280)
1029044-16-3

$$$$
GDC-0973(XL518,RG7420.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,281)
2512

>  <Formula> (1,281)
C21H21F3IN3O2

>  <MolWeight> (1,281)
531.3100196

>  <Item Name> (1,281)
Cobimetinib (GDC-0973, RG7420)

>  <Catalog Number> (1,281)
S8041

>  <Synonyms> (1,281)
XL518

>  <Target> (1,281)
MEK

>  <Form> (1,281)
Free Base

>  <URL> (1,281)
http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

>  <CAS Number> (1,281)
934660-93-2

$$$$
BVD-523.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,282)
2513

>  <Formula> (1,282)
C21H22Cl2N4O2

>  <MolWeight> (1,282)
433.33098

>  <Item Name> (1,282)
Ulixertinib (BVD-523, VRT752271)

>  <Catalog Number> (1,282)
S7854

>  <Synonyms> (1,282)
N/A

>  <Target> (1,282)
ERK

>  <Form> (1,282)
Free Base

>  <URL> (1,282)
http://www.selleckchem.com/products/ulixertinib-bvd-523-vrt752271.html

>  <CAS Number> (1,282)
869886-67-9

$$$$
Tenofovir alafenamide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,283)
2514

>  <Formula> (1,283)
C21H29N6O5P

>  <MolWeight> (1,283)
476.465921

>  <Item Name> (1,283)
Tenofovir Alafenamide (GS-7340)

>  <Catalog Number> (1,283)
S7856

>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
Reverse Transcriptase

>  <Form> (1,283)
Free Base

>  <URL> (1,283)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (1,283)
379270-37-8

$$$$
Licochalcone A.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,284)
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>  <Formula> (1,284)
C21H22O4

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>  <Item Name> (1,284)
Licochalcone A

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S7828

>  <Synonyms> (1,284)
N/A

>  <Target> (1,284)
Estrogen/progestogen Receptor

>  <Form> (1,284)
Free Base

>  <URL> (1,284)
http://www.selleckchem.com/products/licochalcone-a.html

>  <CAS Number> (1,284)
58749-22-7

$$$$
Eltrombopag diethanolamine salt.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,285)
2518

>  <Formula> (1,285)
C29H36N6O6

>  <MolWeight> (1,285)
564.63274

>  <Item Name> (1,285)
Eltrombopag olamine

>  <Catalog Number> (1,285)
S2229

>  <Synonyms> (1,285)
SB-497115-GR, SB497115

>  <Target> (1,285)
Thrombin

>  <Form> (1,285)
diolamine

>  <URL> (1,285)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (1,285)
496775-62-3

$$$$
Endoxifen HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,286)
2521

>  <Formula> (1,286)
C25H28ClNO2

>  <MolWeight> (1,286)
409.94832

>  <Item Name> (1,286)
Endoxifen HCl

>  <Catalog Number> (1,286)
S7839

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
Estrogen/progestogen Receptor

>  <Form> (1,286)
Hydrochloride

>  <URL> (1,286)
http://www.selleckchem.com/products/endoxifen-hcl.html

>  <CAS Number> (1,286)
1032008-74-4

$$$$
S2597-Oseltamivir phosphate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,287)
2533

>  <Formula> (1,287)
C16H31N2O8P

>  <MolWeight> (1,287)
410.399701

>  <Item Name> (1,287)
Oseltamivir Phosphate

>  <Catalog Number> (1,287)
S2597

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
Antifection

>  <Form> (1,287)
Phosphate salt

>  <URL> (1,287)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (1,287)
204255-11-8

$$$$
S4002.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,288)
2534

>  <Formula> (1,288)
C16H20F6N5O6P

>  <MolWeight> (1,288)
523.3240802

>  <Item Name> (1,288)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (1,288)
S4002

>  <Synonyms> (1,288)
MK-0431

>  <Target> (1,288)
DPP-4

>  <Form> (1,288)
phosphate &monohydrate

>  <URL> (1,288)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (1,288)
654671-77-9

$$$$
S4117.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,289)
2535

>  <Formula> (1,289)
C5H15N3O8P2

>  <MolWeight> (1,289)
307.135422

>  <Item Name> (1,289)
Histamine Phosphate

>  <Catalog Number> (1,289)
S4117

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
Histamine Receptor

>  <Form> (1,289)
Free Base

>  <URL> (1,289)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (1,289)
51-74-1

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/10101813202D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,290)
2544

>  <Formula> (1,290)
C18H23N5NaO8P

>  <MolWeight> (1,290)
491.367451

>  <Item Name> (1,290)
Dibutyryl-cAMP (Bucladesine)

>  <Catalog Number> (1,290)
S7858

>  <Synonyms> (1,290)
dbcAMP

>  <Target> (1,290)
PKA

>  <Form> (1,290)
sodium salt

>  <URL> (1,290)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

>  <CAS Number> (1,290)
16980-89-5

$$$$
S3027.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,291)
2546

>  <Formula> (1,291)
C30H30CaO8

>  <MolWeight> (1,291)
558.6324

>  <Item Name> (1,291)
Fenoprofen calcium hydrate

>  <Catalog Number> (1,291)
S3027

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
Immunology & Inflammation related

>  <Form> (1,291)
Calcium dihydrate salt

>  <URL> (1,291)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (1,291)
71720-56-4

$$$$
S4059.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,292)
2547

>  <Formula> (1,292)
C5FeN6Na2O

>  <MolWeight> (1,292)
261.91764

>  <Item Name> (1,292)
Sodium Nitroprusside

>  <Catalog Number> (1,292)
S4059

>  <Synonyms> (1,292)
N/A

>  <Target> (1,292)
Others

>  <Form> (1,292)
Fe complex

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

>  <CAS Number> (1,292)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,293)
2549

>  <Formula> (1,293)
C20H16Cl3N3O4S

>  <MolWeight> (1,293)
500.78274

>  <Item Name> (1,293)
Sertaconazole nitrate

>  <Catalog Number> (1,293)
S3161

>  <Synonyms> (1,293)
FI-7045

>  <Target> (1,293)
Antifection

>  <Form> (1,293)
Nitrate

>  <URL> (1,293)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (1,293)
99592-39-9

$$$$
RTA 408.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,294)
2552

>  <Formula> (1,294)
C33H44F2N2O3

>  <MolWeight> (1,294)
554.7108664

>  <Item Name> (1,294)
Omaveloxolone (RTA-408)

>  <Catalog Number> (1,294)
S7672

>  <Synonyms> (1,294)
N/A

>  <Target> (1,294)
NF-¦ÊB

>  <Form> (1,294)
Free Base

>  <URL> (1,294)
http://www.selleckchem.com/products/omaveloxolone-rta-408.html

>  <CAS Number> (1,294)
1474034-05-3

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,295)
2554

>  <Formula> (1,295)
C11H13BrFN7O4S

>  <MolWeight> (1,295)
438.2328232

>  <Item Name> (1,295)
Epacadostat (INCB024360)

>  <Catalog Number> (1,295)
S7910

>  <Synonyms> (1,295)
N/A

>  <Target> (1,295)
IDO

>  <Form> (1,295)
Free Base

>  <URL> (1,295)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (1,295)
1204669-58-8

$$$$
BQ-123.cdx
csChFnd80/10101813202D

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Cilengitide trifluoroacetate

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EMD 121974, NSC 707544

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Integrin

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Trifluoroacetat

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http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

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188968-51-6

$$$$
T-705 (Favipiravir).cdx
csChFnd80/10101813202D

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259793-96-9

$$$$
BBI608(Napabucasin.cdx
csChFnd80/10101813202D

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STAT

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83280-65-3

$$$$
ASP015K.cdx
csChFnd80/10101813202D

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N/A

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JAK

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944118-01-8

$$$$
Entrectinib (RXDX-101, NMS-E628).cdx
csChFnd80/10101813202D

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6112-76-1

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915385-81-8

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618385-01-6

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Histone Demethylase

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Dihydrochloride

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http://www.selleckchem.com/products/ory-1001-rg-6016.html

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1431326-61-2

$$$$
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NAMPT

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200484-11-3

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TLR

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http://www.selleckchem.com/products/motolimod-vtx-2337.html

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926927-61-9

$$$$
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$$$$
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$$$$
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csChFnd80/10101813202D

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N/A

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DNA/RNA Synthesis

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Free Base

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http://www.selleckchem.com/products/mitomycin-c.html

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50-07-7

$$$$
FG-2216.cdx
csChFnd80/10101813202D

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HIF

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223387-75-5

$$$$
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csChFnd80/10101813202D

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Bcr-Abl

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926037-48-1

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/10101813202D

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>  <CAS Number> (1,330)
887375-67-9

$$$$
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2672

>  <Formula> (1,336)
C38H42Cl2F4N6O9

>  <MolWeight> (1,336)
873.6744928

>  <Item Name> (1,336)
Sitafloxacin hydrate

>  <Catalog Number> (1,336)
S2152

>  <Synonyms> (1,336)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (1,336)
Antifection

>  <Form> (1,336)
1.5 hydrate

>  <URL> (1,336)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (1,336)
163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free base), 3466

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,337)
2673

>  <Formula> (1,337)
C19H27N3O6

>  <MolWeight> (1,337)
393.43418

>  <Item Name> (1,337)
Daprodustat (GSK1278863)

>  <Catalog Number> (1,337)
S8171

>  <Synonyms> (1,337)
N/A

>  <Target> (1,337)
HIF

>  <Form> (1,337)
Free Base

>  <URL> (1,337)
http://www.selleckchem.com/products/daprodustat.html

>  <CAS Number> (1,337)
960539-70-2

$$$$
CC-223.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,338)
2675

>  <Formula> (1,338)
C21H27N5O3

>  <MolWeight> (1,338)
397.47078

>  <Item Name> (1,338)
CC-223

>  <Catalog Number> (1,338)
S7886

>  <Synonyms> (1,338)
N/A

>  <Target> (1,338)
mTOR

>  <Form> (1,338)
Free Base

>  <URL> (1,338)
http://www.selleckchem.com/products/cc-223.html

>  <CAS Number> (1,338)
1228013-30-6

$$$$
Pimavanserin (ACP-103).cdx
csChFnd80/10101813202D

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222638-67-7

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GSK2141795.cdx
csChFnd80/10101813202D

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GSK795

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Akt

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Free Base

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1047634-65-0

$$$$
ICI-118551(ICI-118,551).cdx
csChFnd80/10101813202D

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ICI-118551(ICI-118,551) hydrochloride

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Adrenergic Receptor

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1217094-53-5

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Acalabrutinib.cdx
csChFnd80/10101813202D

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Acalabrutinib (ACP-196)

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>  <Synonyms> (1,343)
N/A

>  <Target> (1,343)
BTK

>  <Form> (1,343)
Free Base

>  <URL> (1,343)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (1,343)
1420477-60-6

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,344)
2703

>  <Formula> (1,344)
C28H22ClF3N6O3

>  <MolWeight> (1,344)
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>  <Catalog Number> (1,344)
S8206

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Dehydrogenase

>  <Form> (1,344)
Free Base

>  <URL> (1,344)
http://www.selleckchem.com/products/ag-120-Ivosidenib.html

>  <CAS Number> (1,344)
1448347-49-6

$$$$
Bitopertin (RG1678; RO-4917838).cdx
csChFnd80/10101813202D

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2704

>  <Formula> (1,345)
C21H20F7N3O4S

>  <MolWeight> (1,345)
543.4550224

>  <Item Name> (1,345)
Bitopertin (RG1678,RO-4917838)

>  <Catalog Number> (1,345)
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>  <Synonyms> (1,345)
RG1678, RO-4917838

>  <Target> (1,345)
GlyT

>  <Form> (1,345)
Free Base

>  <URL> (1,345)
http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

>  <CAS Number> (1,345)
845614-11-1

$$$$
Halofuginone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,346)
2705

>  <Formula> (1,346)
C16H17BrClN3O3

>  <MolWeight> (1,346)
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>  <Item Name> (1,346)
Halofuginone

>  <Catalog Number> (1,346)
S8144

>  <Synonyms> (1,346)
N/A

>  <Target> (1,346)
Others

>  <Form> (1,346)
Free Base

>  <URL> (1,346)
http://www.selleckchem.com/products/halofuginone.html

>  <CAS Number> (1,346)
55837-20-2

$$$$
Vinblastine sulfate.cdx
csChFnd80/10101813202D

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C46H60N4O13S

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>  <Item Name> (1,347)
Vinblastine sulfate

>  <Catalog Number> (1,347)
S4505

>  <Synonyms> (1,347)
NSC49842

>  <Target> (1,347)
Microtubule Associated

>  <Form> (1,347)
Free Base

>  <URL> (1,347)
http://www.selleckchem.com/products/vinblastine-sulfate.html

>  <CAS Number> (1,347)
143-67-9

$$$$
Eliglustat (Tartrate).cdx
csChFnd80/10101813202D

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2713

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C23H36N2O4

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Eliglustat (Tartrate)

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>  <Synonyms> (1,348)
GENZ-112638

>  <Target> (1,348)
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>  <Form> (1,348)
Tartrate

>  <URL> (1,348)
http://www.selleckchem.com/products/eliglustat-tartrate.html

>  <CAS Number> (1,348)
491833-29-5

$$$$
CB1954.cdx
csChFnd80/10101813202D

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C9H8N4O5

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CB1954

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S7829

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Tretazicar

>  <Target> (1,349)
Others

>  <Form> (1,349)
Free Base

>  <URL> (1,349)
http://www.selleckchem.com/products/cb1954.html

>  <CAS Number> (1,349)
21919-05-1

$$$$
BMS-582949.cdx
csChFnd80/10101813202D

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ETC-1002.cdx
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738606-46-7

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csChFnd80/10101813202D

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68-96-2

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csChFnd80/10101813202D

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839707-37-8

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1446502-11-9

$$$$
PRI-724.cdx
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847591-62-2

$$$$
4-Hydroxytamoxifen (4-HT, Afimoxifene).cdx
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M  CFW   9 B_NG_STER 3
M  END
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2731

>  <Formula> (1,358)
C26H29NO2

>  <MolWeight> (1,358)
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>  <Item Name> (1,358)
4-Hydroxytamoxifen

>  <Catalog Number> (1,358)
S7827

>  <Synonyms> (1,358)
Afimoxifene

>  <Target> (1,358)
Estrogen/progestogen Receptor

>  <Form> (1,358)
Free Base

>  <URL> (1,358)
http://www.selleckchem.com/products/4-hydroxytamoxifen-4-ht-afimoxifene.html

>  <CAS Number> (1,358)
68392-35-8

$$$$
Chloroxylenol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,359)
2733

>  <Formula> (1,359)
C8H9ClO

>  <MolWeight> (1,359)
156.60946

>  <Item Name> (1,359)
Chloroxylenol

>  <Catalog Number> (1,359)
S4518

>  <Synonyms> (1,359)
N/A

>  <Target> (1,359)
Antifection

>  <Form> (1,359)
Free Base

>  <URL> (1,359)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (1,359)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,360)
2734

>  <Formula> (1,360)
C16H16N5NaO7S2

>  <MolWeight> (1,360)
477.44731

>  <Item Name> (1,360)
Cefotaxime sodium

>  <Catalog Number> (1,360)
S4517

>  <Synonyms> (1,360)
N/A

>  <Target> (1,360)
Antifection

>  <Form> (1,360)
Sodium Salt

>  <URL> (1,360)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (1,360)
64485-93-4

$$$$
Fenofibric acid.cdx
csChFnd80/10101813202D

 22 23  0  0  0  0  0  0  0  0999 V2000
   10.8828    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,361)
2737

>  <Formula> (1,361)
C17H15ClO4

>  <MolWeight> (1,361)
318.7516

>  <Item Name> (1,361)
Fenofibric acid

>  <Catalog Number> (1,361)
S4527

>  <Synonyms> (1,361)
NSC 281318, Trilipix, FNF acid

>  <Form> (1,361)
Free Base

>  <URL> (1,361)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (1,361)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,362)
2738

>  <Formula> (1,362)
C16H14O3

>  <MolWeight> (1,362)
254.28056

>  <Item Name> (1,362)
Fenbufen

>  <Catalog Number> (1,362)
S4526

>  <Synonyms> (1,362)
Lederfen, CL-82204

>  <Target> (1,362)
COX

>  <Form> (1,362)
Free Base

>  <URL> (1,362)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (1,362)
36330-85-5

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,363)
2740

>  <Formula> (1,363)
C42H88N14O36S3

>  <MolWeight> (1,363)
1461.41532

>  <Item Name> (1,363)
Dihydrostreptomycin sulfate

>  <Catalog Number> (1,363)
S4523

>  <Synonyms> (1,363)
N/A

>  <Target> (1,363)
Antifection

>  <Form> (1,363)
1.5Sulfate

>  <URL> (1,363)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (1,363)
5490-27-7

$$$$
Pentamidine isethionate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,364)
2743

>  <Formula> (1,364)
C23H36N4O10S2

>  <MolWeight> (1,364)
592.68274

>  <Item Name> (1,364)
Pentamidine isethionate

>  <Catalog Number> (1,364)
S4007

>  <Synonyms> (1,364)
N/A

>  <Target> (1,364)
Others

>  <Form> (1,364)
Free Base

>  <URL> (1,364)
http://www.selleckchem.com/products/pentamidine-isethionate.html

>  <CAS Number> (1,364)
140-64-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,365)
2744

>  <Formula> (1,365)
C17H18N3NaO3S

>  <MolWeight> (1,365)
367.39789

>  <Item Name> (1,365)
Esomeprazole sodium

>  <Catalog Number> (1,365)
S2233

>  <Synonyms> (1,365)
N/A

>  <Target> (1,365)
ATPase

>  <Form> (1,365)
Sodium salt

>  <URL> (1,365)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (1,365)
161796-78-7

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/10101813202D

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M  END
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2745

>  <Formula> (1,366)
C34H36MgN6O6S2

>  <MolWeight> (1,366)
713.12124

>  <Item Name> (1,366)
NEXIUM (esomeprazole magnesium)

>  <Catalog Number> (1,366)
S1743

>  <Synonyms> (1,366)
N/A

>  <Target> (1,366)
Proton Pump

>  <Form> (1,366)
Magnesium salt

>  <URL> (1,366)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

>  <CAS Number> (1,366)
161973-10-0

$$$$
i-Inositol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,367)
2749

>  <Formula> (1,367)
C6H12O6

>  <MolWeight> (1,367)
180.15588

>  <Item Name> (1,367)
i-Inositol

>  <Catalog Number> (1,367)
S4530

>  <Synonyms> (1,367)
myo-inositol

>  <Target> (1,367)
Others

>  <Form> (1,367)
Free Base

>  <URL> (1,367)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (1,367)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,368)
2750

>  <Formula> (1,368)
C8H7N3O5

>  <MolWeight> (1,368)
225.15828

>  <Item Name> (1,368)
Furazolidone

>  <Catalog Number> (1,368)
S4528

>  <Synonyms> (1,368)
N/A

>  <Target> (1,368)
Antifection

>  <Form> (1,368)
Free Base

>  <URL> (1,368)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (1,368)
67-45-8

$$$$
Ethylparaben.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,369)
2753

>  <Formula> (1,369)
C9H10O3

>  <MolWeight> (1,369)
166.1739

>  <Item Name> (1,369)
Ethylparaben

>  <Catalog Number> (1,369)
S4525

>  <Synonyms> (1,369)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (1,369)
Antifection

>  <Form> (1,369)
Free Base

>  <URL> (1,369)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (1,369)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,370)
2754

>  <Formula> (1,370)
C17H22I3N3O8

>  <MolWeight> (1,370)
777.08529

>  <Item Name> (1,370)
Iopamidol

>  <Catalog Number> (1,370)
S4532

>  <Synonyms> (1,370)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (1,370)
Others

>  <Form> (1,370)
Free Base

>  <URL> (1,370)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (1,370)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/10101813202D

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    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,371)
2755

>  <Formula> (1,371)
C8H6N4O5

>  <MolWeight> (1,371)
238.15704

>  <Item Name> (1,371)
Nitrofurantoin

>  <Catalog Number> (1,371)
S4536

>  <Synonyms> (1,371)
Macrodantin, Furadantine, Furadonine

>  <Target> (1,371)
Antifection

>  <Form> (1,371)
Free Base

>  <URL> (1,371)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (1,371)
67-20-9

$$$$
DEET.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4322    3.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6443    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,372)
2758

>  <Formula> (1,372)
C12H17NO

>  <MolWeight> (1,372)
191.26948

>  <Item Name> (1,372)
DEET

>  <Catalog Number> (1,372)
S4521

>  <Synonyms> (1,372)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (1,372)
Antifection

>  <Form> (1,372)
Free Base

>  <URL> (1,372)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (1,372)
134-62-3

$$$$
Acetylleucine.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,373)
2760

>  <Formula> (1,373)
C8H15NO3

>  <MolWeight> (1,373)
173.2096

>  <Item Name> (1,373)
Acetylleucine

>  <Catalog Number> (1,373)
S4514

>  <Synonyms> (1,373)
N-acetyl-L-leucine

>  <Target> (1,373)
Others

>  <Form> (1,373)
Free Base

>  <URL> (1,373)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (1,373)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8382    3.4913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6296    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    5.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    2.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,374)
2761

>  <Formula> (1,374)
C7H12N2O4

>  <MolWeight> (1,374)
188.18118

>  <Item Name> (1,374)
Aceglutamide

>  <Catalog Number> (1,374)
S4512

>  <Synonyms> (1,374)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (1,374)
Others

>  <Form> (1,374)
Free Base

>  <URL> (1,374)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (1,374)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/10101813202D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  6  8  1  0  0  0  0
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 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,375)
2763

>  <Formula> (1,375)
C12H17NO3

>  <MolWeight> (1,375)
223.26828

>  <Item Name> (1,375)
Bucetin

>  <Catalog Number> (1,375)
S4554

>  <Synonyms> (1,375)
N/A

>  <Target> (1,375)
Others

>  <Form> (1,375)
Free Base

>  <URL> (1,375)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (1,375)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6453    3.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    4.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    3.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    5.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7182    4.1808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,376)
2764

>  <Formula> (1,376)
C12H6Cl4O2S

>  <MolWeight> (1,376)
356.05184

>  <Item Name> (1,376)
Bithionol

>  <Catalog Number> (1,376)
S4552

>  <Synonyms> (1,376)
Actamer

>  <Target> (1,376)
cAMP

>  <Form> (1,376)
Free Base

>  <URL> (1,376)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (1,376)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/10101813202D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6276    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,377)
2765

>  <Formula> (1,377)
C6H6O2

>  <MolWeight> (1,377)
110.11064

>  <Item Name> (1,377)
Resorcinol

>  <Catalog Number> (1,377)
S4579

>  <Synonyms> (1,377)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (1,377)
Antifection

>  <Form> (1,377)
Free Base

>  <URL> (1,377)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (1,377)
108-46-3

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/10101813202D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6248    2.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6144    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8372    4.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2629    0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739    2.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8082    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0206    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6579    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8703    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,378)
2768

>  <Formula> (1,378)
C16H29N3O8

>  <MolWeight> (1,378)
391.41676

>  <Item Name> (1,378)
Diethylcarbamazine (citrate)

>  <Catalog Number> (1,378)
S4564

>  <Synonyms> (1,378)
N/A

>  <Target> (1,378)
Antifection

>  <Form> (1,378)
Free Base

>  <URL> (1,378)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (1,378)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    2.4399    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2759    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0543    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
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 14 16  1  0  0  0  0
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 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,379)
2769

>  <Formula> (1,379)
C14H8O4

>  <MolWeight> (1,379)
240.21092

>  <Item Name> (1,379)
Danthron

>  <Catalog Number> (1,379)
S4561

>  <Synonyms> (1,379)
chrysazin, Antrapurol

>  <Target> (1,379)
Others

>  <Form> (1,379)
Free Base

>  <URL> (1,379)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (1,379)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    6.0702    3.6253    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7702    4.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702    2.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8552    4.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2800    2.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1728    4.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0743    6.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9863    2.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    1.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6427    3.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,380)
2771

>  <Formula> (1,380)
C20H32ClNO

>  <MolWeight> (1,380)
337.92718

>  <Item Name> (1,380)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (1,380)
S4542

>  <Synonyms> (1,380)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (1,380)
AChR

>  <Form> (1,380)
hydrochloride

>  <URL> (1,380)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (1,380)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/10101813202D

 21 20  0  0  0  0  0  0  0  0999 V2000
    3.2683    4.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2660    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0571    4.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4819    4.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4773    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    2.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0594    6.3060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6932    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8412    2.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    7.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6863    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2753    8.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1158    2.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   11.9957    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,381)
2772

>  <Formula> (1,381)
C14H24Cl2N2O3

>  <MolWeight> (1,381)
339.25796

>  <Item Name> (1,381)
Trimetazidine dihydrochloride

>  <Catalog Number> (1,381)
S4543

>  <Synonyms> (1,381)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (1,381)
Others

>  <Form> (1,381)
Dihydrochloride

>  <URL> (1,381)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (1,381)
13171-25-0

$$$$
Salicylic acid.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,382)
2774

>  <Formula> (1,382)
C7H6O3

>  <MolWeight> (1,382)
138.12074

>  <Item Name> (1,382)
Salicylic acid

>  <Catalog Number> (1,382)
S4539

>  <Synonyms> (1,382)
2-Hydroxybenzoic acid

>  <Target> (1,382)
COX

>  <Form> (1,382)
Free Base

>  <URL> (1,382)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (1,382)
69-72-7

$$$$
Methylene Blue.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,383)
2780

>  <Formula> (1,383)
C16H18ClN3S

>  <MolWeight> (1,383)
319.85222

>  <Item Name> (1,383)
Methylene Blue

>  <Catalog Number> (1,383)
S4535

>  <Synonyms> (1,383)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (1,383)
Others

>  <Form> (1,383)
Free Base

>  <URL> (1,383)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (1,383)
61-73-4

$$$$
Eprodisate (disodium).cdx
csChFnd80/10101813202D

 13 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.4549    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.9375    0.5278    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.7200    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9325    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1449    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5076    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2076    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2951    0.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3573    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0573    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6573    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5698    0.5124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
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 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,384)
2784

>  <Formula> (1,384)
C3H6Na2O6S2

>  <MolWeight> (1,384)
248.18568

>  <Item Name> (1,384)
Eprodisate (disodium)

>  <Catalog Number> (1,384)
S4567

>  <Synonyms> (1,384)
NC-503

>  <Target> (1,384)
Others

>  <Form> (1,384)
disodium salt

>  <URL> (1,384)
http://www.selleckchem.com/products/eprodisate-disodium.html

>  <CAS Number> (1,384)
36589-58-9

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6570    2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    1.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    3.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8693    1.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2208    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4466    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    4.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0844    2.1142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2952    1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5082    2.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7201    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9325    2.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,385)
2793

>  <Formula> (1,385)
C12H18O2

>  <MolWeight> (1,385)
194.27012

>  <Item Name> (1,385)
Hexylresorcinol

>  <Catalog Number> (1,385)
S4571

>  <Synonyms> (1,385)
4-Hexylresorcinol

>  <Target> (1,385)
Tyrosinase

>  <Form> (1,385)
Free Base

>  <URL> (1,385)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (1,385)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
   12.2829    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0855    2.8089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2748    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5086    2.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    2.1216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1015    4.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0571    0.0008    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4522    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7060    2.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8475    0.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6496    2.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3233    4.8941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7069    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9072    2.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6338    0.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4235    2.1398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3391    6.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345    3.8854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.8901    1.7461    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9691    3.6511    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4073    0.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5318    6.9597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7332    6.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5480    8.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9550    6.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7698    9.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9713    8.3391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1978    9.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4072    8.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6330    8.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,386)
2794

>  <Formula> (1,386)
C22H28Cl2F3N3OS

>  <MolWeight> (1,386)
510.4434296

>  <Item Name> (1,386)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (1,386)
S4569

>  <Synonyms> (1,386)
Prolixin

>  <Target> (1,386)
Dopamine Receptor

>  <Form> (1,386)
dihydrochloride

>  <URL> (1,386)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (1,386)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.3124    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  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
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,387)
2796

>  <Formula> (1,387)
C9H19NO4

>  <MolWeight> (1,387)
205.25146

>  <Item Name> (1,387)
DL-Panthenol

>  <Catalog Number> (1,387)
S4566

>  <Synonyms> (1,387)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (1,387)
Others

>  <Form> (1,387)
Free Base

>  <URL> (1,387)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (1,387)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/10101813202D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6213    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353    3.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8373    1.3791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    4.1872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8517    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0542    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2243    3.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4634    5.5870    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    6.0597    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4099    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,388)
2797

>  <Formula> (1,388)
C9H5I2NO

>  <MolWeight> (1,388)
396.95104

>  <Item Name> (1,388)
Diiodohydroxyquinoline

>  <Catalog Number> (1,388)
S4565

>  <Synonyms> (1,388)
Iodoquinol

>  <Target> (1,388)
Antifection

>  <Form> (1,388)
Free Base

>  <URL> (1,388)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (1,388)
83-73-8

$$$$
S4553 Bronopol.cdx
csChFnd80/10101813202D

  9  8  0  0  0  0  0  0  0  0999 V2000
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3322    1.3523    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6845    2.9698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,389)
2801

>  <Formula> (1,389)
C3H6BrNO4

>  <MolWeight> (1,389)
199.98804

>  <Item Name> (1,389)
Bronopol

>  <Catalog Number> (1,389)
S4553

>  <Synonyms> (1,389)
N/A

>  <Target> (1,389)
Antifection

>  <Form> (1,389)
Free Base

>  <URL> (1,389)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (1,389)
52-51-7

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/10101813202D

 27 26  0  0  0  0  0  0  0  0999 V2000
    9.4172    3.5797    0.0000 Sb  0  5  0  0  0  0  0  0  0  0  0  0
    8.0455    3.4147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786    3.7728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1152    2.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1342    4.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8619    2.0117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9031    5.1797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1201    1.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1459    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4359    2.0117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4776    5.1797    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3496    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3781    7.1879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1909    1.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2394    3.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2202    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860    3.7721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2081    2.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9846    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2351    4.8359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0064    7.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.3689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2221    3.5996    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.0860    3.6187    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,390)
2802

>  <Formula> (1,390)
C8H10K2O15Sb2

>  <MolWeight> (1,390)
667.8726

>  <Item Name> (1,390)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (1,390)
S4549

>  <Synonyms> (1,390)
Tartar emetic

>  <Target> (1,390)
Others

>  <Form> (1,390)
Free Base

>  <URL> (1,390)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (1,390)
28300-74-5

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/10101813202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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2807

>  <Formula> (1,391)
C10H16O

>  <MolWeight> (1,391)
152.23344

>  <Item Name> (1,391)
(+)-Camphor

>  <Catalog Number> (1,391)
S4516

>  <Synonyms> (1,391)
N/A

>  <Target> (1,391)
TRPV

>  <Form> (1,391)
Free Base

>  <URL> (1,391)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,391)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,392)
2808

>  <Formula> (1,392)
C16H15N2NaO6S2

>  <MolWeight> (1,392)
418.41987

>  <Item Name> (1,392)
Cephalothin

>  <Catalog Number> (1,392)
S4594

>  <Synonyms> (1,392)
Cefalotin

>  <Target> (1,392)
Antifection

>  <Form> (1,392)
Free Base

>  <URL> (1,392)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (1,392)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,393)
2809

>  <Formula> (1,393)
C23H29ClO4

>  <MolWeight> (1,393)
404.92696

>  <Item Name> (1,393)
Chlormadinone acetate

>  <Catalog Number> (1,393)
S4593

>  <Synonyms> (1,393)
Gestafortin

>  <Target> (1,393)
Estrogen/progestogen

>  <Form> (1,393)
Free Base

>  <URL> (1,393)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (1,393)
302-22-7

$$$$
Tyloxapol.cdx
csChFnd80/10101813202D

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A   61
m
A   62
m
A   63
m
A   64
n
A   65
m=6-8;n<=5
M  END
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>  <Formula> (1,394)
C51H80O6R5

>  <MolWeight> (1,394)
789.1773

>  <Item Name> (1,394)
Tyloxapol

>  <Catalog Number> (1,394)
S4578

>  <Synonyms> (1,394)
Triton WR1339

>  <Target> (1,394)
Others

>  <Form> (1,394)
Free Base

>  <URL> (1,394)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (1,394)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/10101813202D

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>  <Formula> (1,395)
C2HBrClF3

>  <MolWeight> (1,395)
197.3815496

>  <Item Name> (1,395)
Halothane

>  <Catalog Number> (1,395)
S4570

>  <Synonyms> (1,395)
Narcotane

>  <Target> (1,395)
Others

>  <Form> (1,395)
Free Base

>  <URL> (1,395)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (1,395)
151-67-7

$$$$
Terpin (hydrate).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,396)
2812

>  <Formula> (1,396)
C10H22O3

>  <MolWeight> (1,396)
190.27988

>  <Item Name> (1,396)
Terpin (hydrate)

>  <Catalog Number> (1,396)
S4577

>  <Synonyms> (1,396)
N/A

>  <Target> (1,396)
Others

>  <Form> (1,396)
hydrate

>  <URL> (1,396)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (1,396)
2451-01-6

$$$$
Xylitol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,397)
2814

>  <Formula> (1,397)
C5H12O5

>  <MolWeight> (1,397)
152.14578

>  <Item Name> (1,397)
Xylitol

>  <Catalog Number> (1,397)
S4546

>  <Synonyms> (1,397)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (1,397)
Others

>  <Form> (1,397)
Free Base

>  <URL> (1,397)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (1,397)
87-99-0

$$$$
AMG337.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,398)
2817

>  <Formula> (1,398)
C23H22FN7O3

>  <MolWeight> (1,398)
463.4642832

>  <Item Name> (1,398)
AMG 337

>  <Catalog Number> (1,398)
S8167

>  <Synonyms> (1,398)
N/A

>  <Target> (1,398)
c-Met

>  <Form> (1,398)
Free Base

>  <URL> (1,398)
http://www.selleckchem.com/products/amg-337.html

>  <CAS Number> (1,398)
1173699-31-4

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/10101813202D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,399)
2820

>  <Formula> (1,399)
C7H8O

>  <MolWeight> (1,399)
108.13782

>  <Item Name> (1,399)
Benzyl alcohol

>  <Catalog Number> (1,399)
S4600

>  <Synonyms> (1,399)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (1,399)
Others

>  <Form> (1,399)
Free Base

>  <URL> (1,399)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (1,399)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,400)
2821

>  <Formula> (1,400)
C14H12O2

>  <MolWeight> (1,400)
212.24388

>  <Item Name> (1,400)
Benzyl benzoate

>  <Catalog Number> (1,400)
S4599

>  <Synonyms> (1,400)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (1,400)
Others

>  <Form> (1,400)
Free Base

>  <URL> (1,400)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (1,400)
120-51-4

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,401)
2822

>  <Formula> (1,401)
C36H42ClN3O6

>  <MolWeight> (1,401)
648.18818

>  <Item Name> (1,401)
Lercanidipine (hydrochloride)

>  <Catalog Number> (1,401)
S4597

>  <Synonyms> (1,401)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (1,401)
Calcium Channel

>  <Form> (1,401)
hydrochloride

>  <URL> (1,401)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (1,401)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,402)
2823

>  <Formula> (1,402)
C16H15N5O7S2

>  <MolWeight> (1,402)
453.4496

>  <Item Name> (1,402)
Cefixime

>  <Catalog Number> (1,402)
S4596

>  <Synonyms> (1,402)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (1,402)
Antifection

>  <Form> (1,402)
Free Base

>  <URL> (1,402)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (1,402)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,403)
2824

>  <Formula> (1,403)
C14H13N8NaO4S3

>  <MolWeight> (1,403)
476.48899

>  <Item Name> (1,403)
Cefazolin Sodium

>  <Catalog Number> (1,403)
S4595

>  <Synonyms> (1,403)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (1,403)
Antifection

>  <Form> (1,403)
Sodium Salt

>  <URL> (1,403)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (1,403)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,404)
2825

>  <Formula> (1,404)
C9H6N2O3

>  <MolWeight> (1,404)
190.15554

>  <Item Name> (1,404)
Nitroxoline

>  <Catalog Number> (1,404)
S4591

>  <Synonyms> (1,404)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (1,404)
Topoisomerase

>  <Form> (1,404)
Free Base

>  <URL> (1,404)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (1,404)
4008-48-4

$$$$
S4587 Dithranol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,405)
2826

>  <Formula> (1,405)
C6H10N4

>  <MolWeight> (1,405)
138.1704

>  <Item Name> (1,405)
Pentylenetetrazol

>  <Catalog Number> (1,405)
S4587

>  <Synonyms> (1,405)
	Pentylenetetrazole, Metrazole, pentetrazol, pentamethylenetetrazol, Corazol, Cardiazol, PTZ

>  <Target> (1,405)
GABA Receptor

>  <Form> (1,405)
Free Base

>  <URL> (1,405)
http://www.selleckchem.com/products/pentylenetetrazol.html

>  <CAS Number> (1,405)
54-95-5

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/10101813202D

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    5.6015    3.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   10.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,406)
2828

>  <Formula> (1,406)
C13H13N3O5S2

>  <MolWeight> (1,406)
355.38942

>  <Item Name> (1,406)
Succinylsulfathiazole

>  <Catalog Number> (1,406)
S4585

>  <Synonyms> (1,406)
Succinylsulphathiazole

>  <Target> (1,406)
Antifection

>  <Form> (1,406)
Free Base

>  <URL> (1,406)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (1,406)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6474    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8597    4.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2234    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,407)
2829

>  <Formula> (1,407)
C11H14O3

>  <MolWeight> (1,407)
194.22706

>  <Item Name> (1,407)
Butylparaben

>  <Catalog Number> (1,407)
S4584

>  <Synonyms> (1,407)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (1,407)
Antifection

>  <Form> (1,407)
Free Base

>  <URL> (1,407)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (1,407)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/10101813202D

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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,408)
2830

>  <Formula> (1,408)
C11H15NO2

>  <MolWeight> (1,408)
193.2423

>  <Item Name> (1,408)
Butamben

>  <Catalog Number> (1,408)
S4583

>  <Synonyms> (1,408)
Butyl 4-aminobenzoate

>  <Target> (1,408)
Others

>  <Form> (1,408)
Free Base

>  <URL> (1,408)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (1,408)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/10101813202D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2042    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
M  END
>  <Mol_ID> (1,409)
2831

>  <Formula> (1,409)
C6H6O2

>  <MolWeight> (1,409)
110.11064

>  <Item Name> (1,409)
Hydroquinone

>  <Catalog Number> (1,409)
S4580

>  <Synonyms> (1,409)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (1,409)
ROS

>  <Form> (1,409)
Free Base

>  <URL> (1,409)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (1,409)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6356    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.8040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6356    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5472    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    4.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,410)
2832

>  <Formula> (1,410)
C13H12N2O3S

>  <MolWeight> (1,410)
276.31098

>  <Item Name> (1,410)
Sulfabenzamide

>  <Catalog Number> (1,410)
S4576

>  <Synonyms> (1,410)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (1,410)
Antifection

>  <Form> (1,410)
Free Base

>  <URL> (1,410)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (1,410)
127-71-9

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4173    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2020    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,411)
2833

>  <Formula> (1,411)
C7H9ClN2O

>  <MolWeight> (1,411)
172.61216

>  <Item Name> (1,411)
Pralidoxime (chloride)

>  <Catalog Number> (1,411)
S4575

>  <Synonyms> (1,411)
2-PAM (chloride)

>  <Target> (1,411)
AChR

>  <Form> (1,411)
Free Base

>  <URL> (1,411)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (1,411)
51-15-0

$$$$
Cefuroxime sodium.cdx
csChFnd80/10101813202D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.2743    6.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,412)
2834

>  <Formula> (1,412)
C16H15N4NaO8S

>  <MolWeight> (1,412)
446.36707

>  <Item Name> (1,412)
Cefuroxime sodium

>  <Catalog Number> (1,412)
S4620

>  <Synonyms> (1,412)
N/A

>  <Target> (1,412)
Antifection

>  <Form> (1,412)
Sodium Salt

>  <URL> (1,412)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (1,412)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/10101813202D

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    4.8175    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,413)
2835

>  <Formula> (1,413)
C20H27ClN2O4

>  <MolWeight> (1,413)
394.89238

>  <Item Name> (1,413)
Itopride hydrochloride

>  <Catalog Number> (1,413)
S4619

>  <Synonyms> (1,413)
Ganaton, HSR803

>  <Target> (1,413)
AChR

>  <Form> (1,413)
hydrochloride

>  <URL> (1,413)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (1,413)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/10101813202D

  6  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,414)
2836

>  <Formula> (1,414)
C4H10N2

>  <MolWeight> (1,414)
86.1356

>  <Item Name> (1,414)
Piperazine

>  <Catalog Number> (1,414)
S4574

>  <Synonyms> (1,414)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (1,414)
GABA Receptor

>  <Form> (1,414)
Free Base

>  <URL> (1,414)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (1,414)
110-85-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,415)
2837

>  <Formula> (1,415)
C38H84N10O34S5

>  <MolWeight> (1,415)
1385.44516

>  <Item Name> (1,415)
Sisomicin sulfate

>  <Catalog Number> (1,415)
S4540

>  <Synonyms> (1,415)
N/A

>  <Target> (1,415)
Antifection

>  <Form> (1,415)
2.5Sulfate

>  <URL> (1,415)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (1,415)
53179-09-2

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/10101813202D

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   17.0427    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10 13  1  0  0  0  0
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 12 15  1  0  0  0  0
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 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,416)
2838

>  <Formula> (1,416)
C20H28Cl3N3O3

>  <MolWeight> (1,416)
464.81362

>  <Item Name> (1,416)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (1,416)
S4589

>  <Synonyms> (1,416)
N/A

>  <Target> (1,416)
Transferase,Histone

>  <Form> (1,416)
dihydrochloride dihydrate

>  <URL> (1,416)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (1,416)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/10101813202D

 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
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  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
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 21 11  1  0  0  0  0
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 23 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,417)
2841

>  <Formula> (1,417)
C19H21N3O

>  <MolWeight> (1,417)
307.38954

>  <Item Name> (1,417)
Alcaftadine

>  <Catalog Number> (1,417)
S4625

>  <Synonyms> (1,417)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (1,417)
Histamine Receptor

>  <Form> (1,417)
Free Base

>  <URL> (1,417)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (1,417)
147084-10-4

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/10101813202D

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    4.6534    2.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2676    4.0941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1954    3.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0377    5.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5459    7.3408    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
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 15 19  1  0  0  0  0
 15 17  1  0  0  0  0
  3 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,418)
2842

>  <Formula> (1,418)
C13H6Cl6O2

>  <MolWeight> (1,418)
406.90354

>  <Item Name> (1,418)
Hexachlorophene

>  <Catalog Number> (1,418)
S4632

>  <Synonyms> (1,418)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (1,418)
Potassium Channel

>  <Form> (1,418)
Free Base

>  <URL> (1,418)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (1,418)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
    3.6503    3.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6503    2.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0860    2.0171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3039    4.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,419)
2843

>  <Formula> (1,419)
C8H7ClN2O2S

>  <MolWeight> (1,419)
230.67138

>  <Item Name> (1,419)
Diazoxide

>  <Catalog Number> (1,419)
S4630

>  <Synonyms> (1,419)
Sch-6783, SRG-95213, Proglycem

>  <Target> (1,419)
Potassium Channel

>  <Form> (1,419)
Free Base

>  <URL> (1,419)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (1,419)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    9.0957    1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,420)
2844

>  <Formula> (1,420)
C23H21ClO3

>  <MolWeight> (1,420)
380.86404

>  <Item Name> (1,420)
Chlorotrianisene

>  <Catalog Number> (1,420)
S4629

>  <Synonyms> (1,420)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (1,420)
Estrogen/progestogen Receptor

>  <Form> (1,420)
Free Base

>  <URL> (1,420)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (1,420)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.5391    4.9992    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    3.7785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9262    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8616    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7192    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    6.0635    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4416    5.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    7.4580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0176    3.9910    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6  9  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
 11 17  1  0  0  0  0
 12 18  2  0  0  0  0
 14 19  2  0  0  0  0
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 17 21  2  0  0  0  0
 18 21  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,421)
2845

>  <Formula> (1,421)
C23H20N2O3S

>  <MolWeight> (1,421)
404.4815

>  <Item Name> (1,421)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (1,421)
S4628

>  <Synonyms> (1,421)
G-28315, NSC 75925

>  <Target> (1,421)
COX

>  <Form> (1,421)
Free Base

>  <URL> (1,421)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (1,421)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.1838    2.1437    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6200    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    2.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1131    3.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    3.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4892    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0022    0.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    0.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4852    2.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,422)
2846

>  <Formula> (1,422)
C7H11NO2

>  <MolWeight> (1,422)
141.16774

>  <Item Name> (1,422)
Ethosuximide

>  <Catalog Number> (1,422)
S4626

>  <Synonyms> (1,422)
N/A

>  <Target> (1,422)
Calcium Channel

>  <Form> (1,422)
Free Base

>  <URL> (1,422)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (1,422)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/10101813202D

 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
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    3.1411    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4942    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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
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 16 19  1  0  0  0  0
  2 13  1  0  0  0  0
  8 20  1  0  0  0  0
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 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
2847

>  <Formula> (1,423)
C17H20ClNO6S

>  <MolWeight> (1,423)
401.8618

>  <Item Name> (1,423)
Fenoldopam (mesylate)

>  <Catalog Number> (1,423)
S4618

>  <Synonyms> (1,423)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (1,423)
Dopamine Receptor

>  <Form> (1,423)
mesylate

>  <URL> (1,423)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (1,423)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6599    0.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7818    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    3.7987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.0112    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3252    8.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 19  1  6  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 14 16  1  0  0  0  0
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  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  9 22  1  6  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
2848

>  <Formula> (1,424)
C18H28BrNO2

>  <MolWeight> (1,424)
370.32442

>  <Item Name> (1,424)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (1,424)
S4617

>  <Synonyms> (1,424)
Dextromethorphan hydrobromide monohydrate

>  <Target> (1,424)
AChR

>  <Form> (1,424)
hydrobromide

>  <URL> (1,424)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (1,424)
6700-34-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/10101813202D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,425)
2852

>  <Formula> (1,425)
C6H15ClF2N2O3

>  <MolWeight> (1,425)
236.6447064

>  <Item Name> (1,425)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (1,425)
S4582

>  <Synonyms> (1,425)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (1,425)
Decarboxylase

>  <Form> (1,425)
hydrochloride hydrate

>  <URL> (1,425)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (1,425)
96020-91-6

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/10101813202D

 31 35  0  0  0  0  0  0  0  0999 V2000
   14.3619    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3619    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5790    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.0034    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (1,426)
2853

>  <Formula> (1,426)
C25H27N3O2S

>  <MolWeight> (1,426)
433.56578

>  <Item Name> (1,426)
Brexpiprazole

>  <Catalog Number> (1,426)
S4639

>  <Synonyms> (1,426)
OPC-34712, OPC 34712, OPC34712

>  <Target> (1,426)
Dopamine Receptor

>  <Form> (1,426)
Free Base

>  <URL> (1,426)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (1,426)
913611-97-9

$$$$
S4640 Lesinurad.cdx
csChFnd80/10101813202D

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  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
  5  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,427)
2855

>  <Formula> (1,427)
C17H14BrN3O2S

>  <MolWeight> (1,427)
404.28096

>  <Item Name> (1,427)
Lesinurad

>  <Catalog Number> (1,427)
S4640

>  <Synonyms> (1,427)
RDEA 594, RDEA-594, RDEA594

>  <Target> (1,427)
Others

>  <Form> (1,427)
Free Base

>  <URL> (1,427)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (1,427)
878672-00-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10101813202D

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    3.9188    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (1,428)
2856

>  <Formula> (1,428)
C21H22ClNR

>  <MolWeight> (1,428)
323.85908

>  <Item Name> (1,428)
Cyproheptadine hydrochloride

>  <Catalog Number> (1,428)
S4635

>  <Synonyms> (1,428)
Periactin hydrochloride, Peritol

>  <Target> (1,428)
5-HT Receptor

>  <Form> (1,428)
Hydrochloride Sesquihydrate

>  <URL> (1,428)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (1,428)
41354-29-4

$$$$
S4612 Dapson.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,429)
2857

>  <Formula> (1,429)
C12H12N2O2S

>  <MolWeight> (1,429)
248.30088

>  <Item Name> (1,429)
Dapson

>  <Catalog Number> (1,429)
S4612

>  <Synonyms> (1,429)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (1,429)
Antifection

>  <Form> (1,429)
Free Base

>  <URL> (1,429)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (1,429)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/10101813202D

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.2453    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,430)
2858

>  <Formula> (1,430)
C16H13N3O3

>  <MolWeight> (1,430)
295.29272

>  <Item Name> (1,430)
Mebendazole

>  <Catalog Number> (1,430)
S4610

>  <Synonyms> (1,430)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (1,430)
Antifection

>  <Form> (1,430)
Free Base

>  <URL> (1,430)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (1,430)
31431-39-7

$$$$
S4605 Folic acid.cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
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 30 31  1  0  0  0  0
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M  END
>  <Mol_ID> (1,431)
2859

>  <Formula> (1,431)
C19H19N7O6

>  <MolWeight> (1,431)
441.39746

>  <Item Name> (1,431)
Folic acid

>  <Catalog Number> (1,431)
S4605

>  <Synonyms> (1,431)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (1,431)
Vitamin

>  <Form> (1,431)
Free Base

>  <URL> (1,431)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (1,431)
59-30-3

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/10101813202D

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    0.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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A   27
0.5H2O
M  END
>  <Mol_ID> (1,432)
2860

>  <Formula> (1,432)
C18H20FN3O4R

>  <MolWeight> (1,432)
361.3675032

>  <Item Name> (1,432)
Levofloxacin hydrate

>  <Catalog Number> (1,432)
S4604

>  <Synonyms> (1,432)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (1,432)
Topoisomerase

>  <Form> (1,432)
hydrate

>  <URL> (1,432)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (1,432)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/10101813202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,433)
2861

>  <Formula> (1,433)
C7H6O5

>  <MolWeight> (1,433)
170.11954

>  <Item Name> (1,433)
Gallic acid

>  <Catalog Number> (1,433)
S4603

>  <Synonyms> (1,433)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (1,433)
ROS

>  <Form> (1,433)
Free Base

>  <URL> (1,433)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (1,433)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/10101813202D

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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,434)
2862

>  <Formula> (1,434)
C13H8F2O3

>  <MolWeight> (1,434)
250.1976264

>  <Item Name> (1,434)
Diflunisal

>  <Catalog Number> (1,434)
S4609

>  <Synonyms> (1,434)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (1,434)
COX

>  <Form> (1,434)
Free Base

>  <URL> (1,434)
http://www.selleckchem.com/products/diflunisal.html

>  <CAS Number> (1,434)
22494-42-4

$$$$
S4638 Desogestrel.cdx
csChFnd80/10101813202D

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    6.0611    4.1866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,435)
2863

>  <Formula> (1,435)
C22H30O

>  <MolWeight> (1,435)
310.473

>  <Item Name> (1,435)
Desogestrel

>  <Catalog Number> (1,435)
S4638

>  <Synonyms> (1,435)
Cerazette, Desogen, Desogestrelum, Org-2969

>  <Target> (1,435)
Estrogen/progestogen Receptor

>  <Form> (1,435)
Free Base

>  <URL> (1,435)
http://www.selleckchem.com/products/desogestrel.html

>  <CAS Number> (1,435)
54024-22-5

$$$$
MK-886 (L-663,536).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,436)
2865

>  <Formula> (1,436)
C27H34ClNO2S

>  <MolWeight> (1,436)
472.08236

>  <Item Name> (1,436)
MK-886 (L-663,536)

>  <Catalog Number> (1,436)
S8236

>  <Synonyms> (1,436)
L-663536

>  <Target> (1,436)
Lipoxygenase

>  <Form> (1,436)
Free Base

>  <URL> (1,436)
http://www.selleckchem.com/products/mk-886-l-663-536.html

>  <CAS Number> (1,436)
118414-82-7

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,437)
2870

>  <Formula> (1,437)
C32H35ClN18O10S6

>  <MolWeight> (1,437)
1059.5779

>  <Item Name> (1,437)
Cefmenoxime hydrochloride

>  <Catalog Number> (1,437)
S4647

>  <Synonyms> (1,437)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (1,437)
Antifection

>  <Form> (1,437)
hydrochloride

>  <URL> (1,437)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (1,437)
75738-58-8

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/10101813202D

 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
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M  END
>  <Mol_ID> (1,438)
2871

>  <Formula> (1,438)
C20H37NaO7S

>  <MolWeight> (1,438)
444.55835

>  <Item Name> (1,438)
Docusate Sodium

>  <Catalog Number> (1,438)
S4588

>  <Synonyms> (1,438)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (1,438)
Opioid Receptor

>  <Form> (1,438)
sodium salt

>  <URL> (1,438)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (1,438)
577-11-7

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/10101813202D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.8780    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,439)
2872

>  <Formula> (1,439)
C4H6N2

>  <MolWeight> (1,439)
82.10384

>  <Item Name> (1,439)
Fomepizole (Antizol)

>  <Catalog Number> (1,439)
S1717

>  <Synonyms> (1,439)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (1,439)
5-alpha Reductase

>  <Form> (1,439)
Free Base

>  <URL> (1,439)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (1,439)
7554-65-6

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,440)
2873

>  <Formula> (1,440)
C17H16N2O3

>  <MolWeight> (1,440)
296.32054

>  <Item Name> (1,440)
Eslicarbazepine Acetate

>  <Catalog Number> (1,440)
S4657

>  <Synonyms> (1,440)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (1,440)
Others

>  <Form> (1,440)
Free Base

>  <URL> (1,440)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (1,440)
236395-14-5

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/10101813202D

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    2.4579    4.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  2  0  0  0  0
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M  END
>  <Mol_ID> (1,441)
2875

>  <Formula> (1,441)
C14H17ClN2

>  <MolWeight> (1,441)
248.75118

>  <Item Name> (1,441)
Atipamezole hydrochloride

>  <Catalog Number> (1,441)
S4649

>  <Synonyms> (1,441)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (1,441)
Adrenergic Receptor

>  <Form> (1,441)
hydrochloride

>  <URL> (1,441)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (1,441)
104075-48-1

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/10101813202D

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   13.9099    3.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9100    1.6338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4773    5.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.6530    1.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9871    1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  9  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
2880

>  <Formula> (1,442)
C17H16FN6O6P

>  <MolWeight> (1,442)
450.3177042

>  <Item Name> (1,442)
Tedizolid Phosphate

>  <Catalog Number> (1,442)
S4641

>  <Synonyms> (1,442)
TR-701FA

>  <Target> (1,442)
Antifection

>  <Form> (1,442)
Free Base

>  <URL> (1,442)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (1,442)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/10101813202D

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    4.8587    2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    2.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
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 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,443)
2881

>  <Formula> (1,443)
C10H9N4NaO2S

>  <MolWeight> (1,443)
272.25883

>  <Item Name> (1,443)
Sodium sulfadiazine

>  <Catalog Number> (1,443)
S4634

>  <Synonyms> (1,443)
Sulfadiazin-natrium

>  <Target> (1,443)
Antifection

>  <Form> (1,443)
Sodium salt

>  <URL> (1,443)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (1,443)
547-32-0

$$$$
S4606 Glutathione.cdx
csChFnd80/10101813202D

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    9.6995    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,444)
2883

>  <Formula> (1,444)
C10H17N3O6S

>  <MolWeight> (1,444)
307.32348

>  <Item Name> (1,444)
Glutathione

>  <Catalog Number> (1,444)
S4606

>  <Synonyms> (1,444)
Isethion, Glutathion, Tathion

>  <Target> (1,444)
Others

>  <Form> (1,444)
Free Base

>  <URL> (1,444)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (1,444)
70-18-8

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/10101813202D

  5  4  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,445)
2884

>  <Formula> (1,445)
C2H5NO2

>  <MolWeight> (1,445)
75.0666

>  <Item Name> (1,445)
Acetohydroxamic acid

>  <Catalog Number> (1,445)
S4602

>  <Synonyms> (1,445)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (1,445)
Antifection

>  <Form> (1,445)
Free Base

>  <URL> (1,445)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (1,445)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/10101813202D

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 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,446)
2885

>  <Formula> (1,446)
C12H7Cl3O2

>  <MolWeight> (1,446)
289.54178

>  <Item Name> (1,446)
Triclosan

>  <Catalog Number> (1,446)
S4541

>  <Synonyms> (1,446)
Irgasan, Cloxifenolum

>  <Target> (1,446)
Antifection

>  <Form> (1,446)
Free Base

>  <URL> (1,446)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (1,446)
3380-34-5

$$$$
S4562 Dehydrocholic acid.cdx
csChFnd80/10101813202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0984    2.8159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3107    3.5131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8915    3.5131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0877    1.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6407    3.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,447)
2890

>  <Formula> (1,447)
C24H34O5

>  <MolWeight> (1,447)
402.52376

>  <Item Name> (1,447)
Dehydrocholic acid

>  <Catalog Number> (1,447)
S4562

>  <Synonyms> (1,447)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (1,447)
Others

>  <Form> (1,447)
Free Base

>  <URL> (1,447)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (1,447)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/10101813202D

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    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,448)
2891

>  <Formula> (1,448)
C9H16O4

>  <MolWeight> (1,448)
188.22094

>  <Item Name> (1,448)
Azelaic acid

>  <Catalog Number> (1,448)
S4550

>  <Synonyms> (1,448)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (1,448)
Antifection

>  <Form> (1,448)
Free Base

>  <URL> (1,448)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (1,448)
123-99-9

$$$$
S4679 Terazosin.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6413    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413    3.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,449)
2893

>  <Formula> (1,449)
C19H26ClN5O4

>  <MolWeight> (1,449)
423.89384

>  <Item Name> (1,449)
Terazosin HCl 

>  <Catalog Number> (1,449)
S4679

>  <Synonyms> (1,449)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (1,449)
Adrenergic Receptor

>  <Form> (1,449)
hydrochloride

>  <URL> (1,449)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (1,449)
63074-08-8

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/10101813202D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,450)
2896

>  <Formula> (1,450)
C27H40O4

>  <MolWeight> (1,450)
428.6041

>  <Item Name> (1,450)
Hydroxyprogesterone caproate

>  <Catalog Number> (1,450)
S4674

>  <Synonyms> (1,450)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (1,450)
Estrogen/progestogen Receptor

>  <Form> (1,450)
Free Base

>  <URL> (1,450)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (1,450)
630-56-8

$$$$
S4684 Sildenafil.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,451)
2897

>  <Formula> (1,451)
C22H30N6O4S

>  <MolWeight> (1,451)
474.5764

>  <Item Name> (1,451)
Sildenafil

>  <Catalog Number> (1,451)
S4684

>  <Synonyms> (1,451)
Revatio, UK-92480, Viagra

>  <Target> (1,451)
PDE

>  <Form> (1,451)
Free Base

>  <URL> (1,451)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (1,451)
139755-83-2

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,452)
2898

>  <Formula> (1,452)
C23H34N6O7S2

>  <MolWeight> (1,452)
570.68206

>  <Item Name> (1,452)
Sildenafil Mesylate

>  <Catalog Number> (1,452)
S4683

>  <Synonyms> (1,452)
N/A

>  <Target> (1,452)
PDE

>  <Form> (1,452)
Mesylate

>  <URL> (1,452)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (1,452)
1308285-21-3

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,453)
2899

>  <Formula> (1,453)
C17H19ClN4O

>  <MolWeight> (1,453)
330.81196

>  <Item Name> (1,453)
Alosetron Hydrochloride

>  <Catalog Number> (1,453)
S4694

>  <Synonyms> (1,453)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (1,453)
5-HT Receptor

>  <Form> (1,453)
hydrochloride

>  <URL> (1,453)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (1,453)
122852-69-1

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,454)
2900

>  <Formula> (1,454)
C9H10Cl3N3O

>  <MolWeight> (1,454)
282.5542

>  <Item Name> (1,454)
Guanfacine Hydrochloride

>  <Catalog Number> (1,454)
S4693

>  <Synonyms> (1,454)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (1,454)
5-HT Receptor

>  <Form> (1,454)
hydrochloride

>  <URL> (1,454)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (1,454)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,455)
2901

>  <Formula> (1,455)
C14H12O3

>  <MolWeight> (1,455)
228.24328

>  <Item Name> (1,455)
Oxybenzone

>  <Catalog Number> (1,455)
S4691

>  <Synonyms> (1,455)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (1,455)
Others

>  <Form> (1,455)
Free Base

>  <URL> (1,455)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (1,455)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/10101813202D

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   11.7799    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1799    3.6373    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2799    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4740    3.5762    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.3823    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3823    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   28.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   28.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   18.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 11  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,456)
2902

>  <Formula> (1,456)
C20H29N2NaO11S

>  <MolWeight> (1,456)
528.50583

>  <Item Name> (1,456)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (1,456)
S4666

>  <Synonyms> (1,456)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (1,456)
Serine Protease

>  <Form> (1,456)
Sodium salt tetrahydrate

>  <URL> (1,456)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (1,456)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    8.2567    1.9958    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.5789    2.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1291    2.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8477    3.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6312    1.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0096    1.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4387    0.6205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1713    4.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9537    1.9963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737    2.3475    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   12.2258    3.3696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6922    1.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369    1.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0659    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3553    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  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  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,457)
2903

>  <Formula> (1,457)
C9H14N4O4

>  <MolWeight> (1,457)
242.23186

>  <Item Name> (1,457)
Molsidomine

>  <Catalog Number> (1,457)
S4664

>  <Synonyms> (1,457)
SIN-10, Corvaton, Morsydomine

>  <Target> (1,457)
Others

>  <Form> (1,457)
inner salt

>  <URL> (1,457)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (1,457)
25717-80-0

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/10101813202D

 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> (1,458)
2905

>  <Formula> (1,458)
C19H28BrNO3

>  <MolWeight> (1,458)
398.33452

>  <Item Name> (1,458)
Glycopyrrolate

>  <Catalog Number> (1,458)
S4660

>  <Synonyms> (1,458)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (1,458)
AChR

>  <Form> (1,458)
bromide

>  <URL> (1,458)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (1,458)
596-51-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8488    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8488    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    2.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    4.1954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2626    2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750    4.8960    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8501    4.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2127    2.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5574    5.8354    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.7893    6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3761    7.6393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9421    5.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    7.0401    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7221    8.5625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3870    6.7692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1732    9.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7090    7.5476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7834   10.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0398    3.7233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  6  0  0  0
 21 23  1  1  0  0  0
 23 25  1  0  0  0  0
 10 26  1  6  0  0  0
M  END
>  <Mol_ID> (1,459)
2907

>  <Formula> (1,459)
C20H26N2O2

>  <MolWeight> (1,459)
326.43264

>  <Item Name> (1,459)
Hydroquinidine

>  <Catalog Number> (1,459)
S4658

>  <Synonyms> (1,459)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (1,459)
Others

>  <Form> (1,459)
Free Base

>  <URL> (1,459)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (1,459)
1435-55-8

$$$$
S4655 Sulpiride.cdx
csChFnd80/10101813202D

 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> (1,460)
2908

>  <Formula> (1,460)
C15H23N3O4S

>  <MolWeight> (1,460)
341.42582

>  <Item Name> (1,460)
Sulpiride

>  <Catalog Number> (1,460)
S4655

>  <Synonyms> (1,460)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (1,460)
Dopamine Receptor

>  <Form> (1,460)
Free Base

>  <URL> (1,460)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (1,460)
15676-16-1

$$$$
S4651 Etoricoxib.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,461)
2910

>  <Formula> (1,461)
C18H15ClN2O2S

>  <MolWeight> (1,461)
358.8419

>  <Item Name> (1,461)
Etoricoxib

>  <Catalog Number> (1,461)
S4651

>  <Synonyms> (1,461)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (1,461)
COX

>  <Form> (1,461)
Free  Base

>  <URL> (1,461)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (1,461)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,462)
2911

>  <Formula> (1,462)
C20H26N2O2

>  <MolWeight> (1,462)
326.43264

>  <Item Name> (1,462)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (1,462)
S4648

>  <Synonyms> (1,462)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (1,462)
Calcium Channel

>  <Form> (1,462)
Sodium salt hemiheptahydrate

>  <URL> (1,462)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (1,462)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,463)
2912

>  <Formula> (1,463)
C32H44O7

>  <MolWeight> (1,463)
540.68756

>  <Item Name> (1,463)
Ciclesonide

>  <Catalog Number> (1,463)
S4646

>  <Synonyms> (1,463)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (1,463)
Others

>  <Form> (1,463)
Free Base

>  <URL> (1,463)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (1,463)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,464)
2913

>  <Formula> (1,464)
C20H21ClFNO3S

>  <MolWeight> (1,464)
409.9020432

>  <Item Name> (1,464)
Prasugrel Hydrochloride

>  <Catalog Number> (1,464)
S4637

>  <Synonyms> (1,464)
Prasugrel HCl, LY 640315

>  <Target> (1,464)
P2 Receptor

>  <Form> (1,464)
hydrochloride

>  <URL> (1,464)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (1,464)
389574-19-0

$$$$
s4515 Ademetionine Ademetionine disulfate tosylate.cdx
csChFnd80/10101813202D

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   12.6341    8.3239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2693    8.0339    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2289    8.9707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0164    8.2707    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3074    6.9013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6998    6.7548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7418    8.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5716    8.0784    0.0000 S   0  3  3  0  0  0  0  0  0  0  0  0
    6.6446    6.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3284    8.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    7.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151    8.5854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8420    9.9788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7449    7.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179    6.4321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5017    8.4589    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.3737    5.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3974    5.5465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3079    8.0847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5648    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    2.7259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823    2.7666    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    0.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    2.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9459    3.4362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1060    3.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4521    1.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175    0.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3809    1.7415    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9198    1.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8081    1.7415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3809    0.3142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3809    3.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294    1.6484    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.0816    1.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9295    1.6484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294    3.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5294    0.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  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
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  6  0  0  0
 14 26  1  6  0  0  0
  5 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  2  0  0  0  0
 31 36  2  0  0  0  0
 32 37  1  0  0  0  0
 33 37  2  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
 39 43  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 44 47  2  0  0  0  0
 44 48  2  0  0  0  0
M  END
>  <Mol_ID> (1,465)
2914

>  <Formula> (1,465)
C22H34N6O16S4

>  <MolWeight> (1,465)
766.79596

>  <Item Name> (1,465)
Ademetionine disulfate tosylate 

>  <Catalog Number> (1,465)
S4515

>  <Synonyms> (1,465)
N/A

>  <Target> (1,465)
Others

>  <Form> (1,465)
Disulfate tosylate

>  <URL> (1,465)
http://www.selleckchem.com/products/ademetionine-disulfate-tosylate.html

>  <CAS Number> (1,465)
97540-22-2

$$$$
S4680 Protirelin.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    8.4578    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5904    1.3315    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4578    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9219    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.2544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6703    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    3.1164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9119    0.7742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042    7.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7368    5.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.5544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8205    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9736    8.0378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    6.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    2.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 18 15  1  6  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,466)
2918

>  <Formula> (1,466)
C16H22N6O4

>  <MolWeight> (1,466)
362.38368

>  <Item Name> (1,466)
Protirelin

>  <Catalog Number> (1,466)
S4680

>  <Synonyms> (1,466)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (1,466)
Others

>  <Form> (1,466)
Free Base

>  <URL> (1,466)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (1,466)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.6359    5.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7622    2.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1604    3.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    4.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0340    5.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1504    2.0822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4027    2.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1793    4.1009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    2.0984    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    6.8568    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6485    0.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    0.7006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    0.7004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4917    2.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2791    2.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2791    4.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6999    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9093    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1171    2.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3257    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5339    2.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7423    2.0996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    0.7037    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,467)
2919

>  <Formula> (1,467)
C18H20N3NaO3S

>  <MolWeight> (1,467)
381.42447

>  <Item Name> (1,467)
Rebeprazole sodium

>  <Catalog Number> (1,467)
S4665

>  <Synonyms> (1,467)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (1,467)
Proton Pump

>  <Form> (1,467)
sodium salt

>  <URL> (1,467)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (1,467)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/10101813202D

 41 43  0  0  0  0  0  0  0  0999 V2000
    6.1524    3.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3766    4.2312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3766    5.6312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6948    3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    3.5031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    6.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4857    4.9468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6977    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594    7.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    1.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2681    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2552    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681    2.1093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    9.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9609    8.9520    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.4571    6.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9134    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1853    5.8070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7720   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   12.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   13.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9782    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5082    7.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1749    8.9429    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 39  1  6  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
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 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,468)
2920

>  <Formula> (1,468)
C31H47NaO6

>  <MolWeight> (1,468)
538.69105

>  <Item Name> (1,468)
Fusidate Sodium

>  <Catalog Number> (1,468)
S4663

>  <Synonyms> (1,468)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (1,468)
Antifection

>  <Form> (1,468)
sodium salt

>  <URL> (1,468)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (1,468)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/10101813202D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  2  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,469)
2921

>  <Formula> (1,469)
C9H5ClINO

>  <MolWeight> (1,469)
305.49957

>  <Item Name> (1,469)
Clioquinol

>  <Catalog Number> (1,469)
S4601

>  <Synonyms> (1,469)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (1,469)
Antifection

>  <Form> (1,469)
Free Base

>  <URL> (1,469)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (1,469)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/10101813202D

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    4.8497    4.5961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,470)
2922

>  <Formula> (1,470)
C14H9ClF3NO2

>  <MolWeight> (1,470)
315.6749696

>  <Item Name> (1,470)
Efavirenz

>  <Catalog Number> (1,470)
S4685

>  <Synonyms> (1,470)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (1,470)
Reverse Transcriptase

>  <Form> (1,470)
Free Base

>  <URL> (1,470)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (1,470)
154598-52-4

$$$$
TRx0237 (LMTX).cdx
csChFnd80/10101813202D

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    3.6373    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4100    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    6.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.2100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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 14  9  1  0  0  0  0
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 27 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,471)
2923

>  <Formula> (1,471)
C18H27N3O6S3

>  <MolWeight> (1,471)
477.61848

>  <Item Name> (1,471)
TRx0237 (LMTX) mesylate

>  <Catalog Number> (1,471)
S7762

>  <Synonyms> (1,471)
N/A

>  <Target> (1,471)
Microtubule Associated

>  <Form> (1,471)
Dimesylate

>  <URL> (1,471)
http://www.selleckchem.com/products/trx0237-lmtx.html

>  <CAS Number> (1,471)
1236208-20-0

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/10101813202D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.4858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,472)
2924

>  <Formula> (1,472)
C20H23ClN2O5

>  <MolWeight> (1,472)
406.86002

>  <Item Name> (1,472)
arbinoxaMine Maleate

>  <Catalog Number> (1,472)
S4696

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
Histamine Receptor

>  <Form> (1,472)
maleate

>  <URL> (1,472)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (1,472)
3505-38-2

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,473)
2928

>  <Formula> (1,473)
C14H23ClN2O

>  <MolWeight> (1,473)
270.79822

>  <Item Name> (1,473)
Lidocaine hydrochloride

>  <Catalog Number> (1,473)
S4667

>  <Synonyms> (1,473)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (1,473)
Others

>  <Form> (1,473)
hydrochloride

>  <URL> (1,473)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (1,473)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/10101813202D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  1 15  2  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,474)
2929

>  <Formula> (1,474)
C19H27NO3

>  <MolWeight> (1,474)
317.42258

>  <Item Name> (1,474)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (1,474)
S1789

>  <Synonyms> (1,474)
N/A

>  <Target> (1,474)
5-alpha Reductase

>  <Form> (1,474)
Free Base

>  <URL> (1,474)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (1,474)
58-46-8

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/10101813202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2125    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6060    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060    5.3327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0387    6.6642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4216    6.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2943    5.7885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6788    5.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1020    7.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5517    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1904    7.3002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2437    3.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  6  0  0  0
 12 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 23  1  0  0  0  0
  5 23  1  0  0  0  0
 23 24  1  1  0  0  0
 16 25  2  0  0  0  0
 16 26  1  0  0  0  0
 20 27  1  6  0  0  0
  1 28  1  6  0  0  0
  5 29  1  1  0  0  0
 22 30  1  6  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 12 33  1  6  0  0  0
M  END
>  <Mol_ID> (1,475)
2931

>  <Formula> (1,475)
C24H40O4

>  <MolWeight> (1,475)
392.572

>  <Item Name> (1,475)
Deoxycholic acid

>  <Catalog Number> (1,475)
S4689

>  <Synonyms> (1,475)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (1,475)
Others

>  <Form> (1,475)
Free Base

>  <URL> (1,475)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (1,475)
83-44-3

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
    0.7000    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9124    5.3015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    6.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.1015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    4.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6461    3.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.3015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5455    5.9991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7538    5.3015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    7.3942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9001    3.9092    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2695    3.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9695    4.8305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0327    5.8709    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4021    6.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2440    4.2631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6016    7.1978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8633    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734    1.9857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    3.9063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3055    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  4  1  0  0  0  0
  8 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 19  1  0  0  0  0
 18 21  1  6  0  0  0
 19 22  1  6  0  0  0
 16 23  1  1  0  0  0
 23 24  3  0  0  0  0
 12 25  1  1  0  0  0
  3  4  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,476)
2933

>  <Formula> (1,476)
C18H27N3O3

>  <MolWeight> (1,476)
333.42528

>  <Item Name> (1,476)
Saxagliptin hydrate 

>  <Catalog Number> (1,476)
S4697

>  <Synonyms> (1,476)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (1,476)
DPP-4

>  <Form> (1,476)
hydrate

>  <URL> (1,476)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (1,476)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.7000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    8.4456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    8.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    9.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685   10.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    9.7246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1227   12.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1234    7.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6276    5.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9970    5.4743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4296    6.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6395    3.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519    2.3681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8923    3.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3229    4.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    3.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905    4.0517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881    1.6880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5828    3.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1522    5.1843    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1118    6.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994    5.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
A   31
2.5HBr
M  END
>  <Mol_ID> (1,477)
2934

>  <Formula> (1,477)
C22H30N6ORS

>  <MolWeight> (1,477)
426.5782

>  <Item Name> (1,477)
Teneligliptin hydrobromide

>  <Catalog Number> (1,477)
S4636

>  <Synonyms> (1,477)
Teneligliptin hydrobromide anhydrous

>  <Target> (1,477)
DPP-4

>  <Form> (1,477)
hydrobromide

>  <URL> (1,477)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (1,477)
906093-29-6

$$$$
S4671 Cefradine.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.7806    2.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7806    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4050    2.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4050    4.2086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9888    4.9012    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    1.8187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    2.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    5.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2218    4.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,478)
2935

>  <Formula> (1,478)
C16H19N3O4S

>  <MolWeight> (1,478)
349.40476

>  <Item Name> (1,478)
Cefradine

>  <Catalog Number> (1,478)
S4671

>  <Synonyms> (1,478)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (1,478)
Antifection

>  <Form> (1,478)
Free Base

>  <URL> (1,478)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (1,478)
38821-53-3

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,479)
2937

>  <Formula> (1,479)
C26H27F4N3O7

>  <MolWeight> (1,479)
569.5020928

>  <Item Name> (1,479)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (1,479)
S7775

>  <Synonyms> (1,479)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (1,479)
Caspase

>  <Form> (1,479)
Free Base

>  <URL> (1,479)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (1,479)
254750-02-2

$$$$
Atazanavir.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,480)
2938

>  <Formula> (1,480)
C38H52N6O7

>  <MolWeight> (1,480)
704.85548

>  <Item Name> (1,480)
Atazanavir

>  <Catalog Number> (1,480)
S4662

>  <Synonyms> (1,480)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (1,480)
HIV Protease

>  <Form> (1,480)
Free Base

>  <URL> (1,480)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (1,480)
198904-31-3

$$$$
Kanamycin sulfate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,481)
2939

>  <Formula> (1,481)
C18H38N4O15S

>  <MolWeight> (1,481)
582.57712

>  <Item Name> (1,481)
Kanamycin sulfate

>  <Catalog Number> (1,481)
S2315

>  <Synonyms> (1,481)
Kanamycin monosulfate

>  <Target> (1,481)
Antifection

>  <Form> (1,481)
sulfate

>  <URL> (1,481)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (1,481)
25389-94-0

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,482)
2941

>  <Formula> (1,482)
C26H28N4O4S

>  <MolWeight> (1,482)
492.58992

>  <Item Name> (1,482)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (1,482)
S7625

>  <Synonyms> (1,482)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (1,482)
PARP

>  <Form> (1,482)
4-?methylbenzen

>  <URL> (1,482)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (1,482)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/10101813202D

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Aerosporin, PMB, Poly-RX

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Antifection

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sulfate

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http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (1,483)
1405-20-5, 4135-11-9 (free base)

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Free Base

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http://www.selleckchem.com/products/mlr-1023.html

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41964-07-2

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LY3023414.cdx
csChFnd80/10101813202D

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C23H26N4O3

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LY3023414

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GTPL8918

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Akt

>  <Form> (1,485)
Free Base

>  <URL> (1,485)
http://www.selleckchem.com/products/ly3023414.html

>  <CAS Number> (1,485)
1386874-06-1

$$$$
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csChFnd80/10101813202D

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Selonsertib (GS-4997)

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N/A

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Caspase

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1448428-04-3

$$$$
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csChFnd80/10101813202D

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AChR

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Free Base

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

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123441-03-2

$$$$
AT-406.cdx
csChFnd80/10101813202D

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AT-406

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S2754

>  <Synonyms> (1,488)
N/A

>  <Target> (1,488)
IAP

>  <Form> (1,488)
Free Base

>  <URL> (1,488)
http://www.selleckchem.com/products/at-406.html

>  <CAS Number> (1,488)
1071992-99-8, 1071992-57-8 (HCl)

$$$$
Tazobactam.cdx
csChFnd80/10101813202D

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2954

>  <Formula> (1,489)
C10H12N4O5S

>  <MolWeight> (1,489)
300.29108

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Tazobactam

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S3077

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
Antifection

>  <Form> (1,489)
Free Base

>  <URL> (1,489)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (1,489)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,490)
2958

>  <Formula> (1,490)
C22H28O2

>  <MolWeight> (1,490)
324.45652

>  <Item Name> (1,490)
Etonogestrel

>  <Catalog Number> (1,490)
S4673

>  <Synonyms> (1,490)
Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

>  <Target> (1,490)
Estrogen/progestogen Receptor

>  <Form> (1,490)
Free Base

>  <URL> (1,490)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (1,490)
54048-10-1

$$$$
S4686 Escin.cdx
csChFnd80/10101813202D

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148-82-3

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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,496)
2979

>  <Formula> (1,496)
C26H28N2

>  <MolWeight> (1,496)
368.51392

>  <Item Name> (1,496)
Cinnarizine

>  <Catalog Number> (1,496)
S4727

>  <Synonyms> (1,496)
Stugeron|Dimitronal|Stutgin|Cinarizine

>  <Target> (1,496)
Calcium Channel

>  <Form> (1,496)
Free Base

>  <URL> (1,496)
http://www.selleckchem.com/products/cinnarizine.html

>  <CAS Number> (1,496)
298-57-7

$$$$
S4728 3,3'-Diindolylmethane.cdx
csChFnd80/10101813202D

 19 22  0  0  0  0  0  0  0  0999 V2000
    2.7780    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919    1.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9193    1.1603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2503    2.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0483    0.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8587    3.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4977    1.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7448    2.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4575    4.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
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  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
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 14 16  1  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,497)
2983

>  <Formula> (1,497)
C17H14N2

>  <MolWeight> (1,497)
246.30646

>  <Item Name> (1,497)
3,3'-Diindolylmethane

>  <Catalog Number> (1,497)
S4728

>  <Synonyms> (1,497)
DIM

>  <Target> (1,497)
Others

>  <Form> (1,497)
Free Base

>  <URL> (1,497)
http://www.selleckchem.com/products/3-3-diindolylmethane.html

>  <CAS Number> (1,497)
1968-05-4

$$$$
S4708 Palmitoylethanolamide.cdx
csChFnd80/10101813202D

 21 20  0  0  0  0  0  0  0  0999 V2000
   15.7343    0.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5056    0.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9264    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2955    0.8161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1552    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0851    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3654    0.0367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1735    2.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9296    0.8619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    0.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7102    0.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7861    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.0057    0.6693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2804    0.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2379    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 13 15  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,498)
2986

>  <Formula> (1,498)
C18H37NO2

>  <MolWeight> (1,498)
299.49188

>  <Item Name> (1,498)
Palmitoylethanolamide

>  <Catalog Number> (1,498)
S4708

>  <Synonyms> (1,498)
Palmidrol|N-palmitoylethanolamine

>  <Target> (1,498)
PPAR

>  <Form> (1,498)
Free Base

>  <URL> (1,498)
http://www.selleckchem.com/products/palmitoylethanolamide.html

>  <CAS Number> (1,498)
544-31-0

$$$$
S4721 L-Glutamic acid monosodium salt.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,499)
2987

>  <Formula> (1,499)
C5H8NNaO4

>  <MolWeight> (1,499)
169.11109

>  <Item Name> (1,499)
L-Glutamic acid monosodium salt

>  <Catalog Number> (1,499)
S4721

>  <Synonyms> (1,499)
Monosodium glutamate|MSG

>  <Target> (1,499)
Others

>  <Form> (1,499)
sodium salt

>  <URL> (1,499)
http://www.selleckchem.com/products/l-glutamic-acid-monosodium-salt.html

>  <CAS Number> (1,499)
142-47-2

$$$$
S4718 Acetylcholine iodide.cdx
csChFnd80/10101813202D

 11  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,500)
2988

>  <Formula> (1,500)
C7H16INO2

>  <MolWeight> (1,500)
273.11191

>  <Item Name> (1,500)
Acetylcholine iodide

>  <Catalog Number> (1,500)
S4718

>  <Synonyms> (1,500)
Acetylcolina

>  <Target> (1,500)
Others

>  <Form> (1,500)
iodide salt

>  <URL> (1,500)
http://www.selleckchem.com/products/acetylcholine-iodide.html

>  <CAS Number> (1,500)
2260-50-6

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6235    2.1002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6192    3.4946    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4011    1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4234    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    4.1946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    2.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
>  <Mol_ID> (1,501)
2990

>  <Formula> (1,501)
C10H20O

>  <MolWeight> (1,501)
156.2652

>  <Item Name> (1,501)
(-)-Menthol

>  <Catalog Number> (1,501)
S4714

>  <Synonyms> (1,501)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (1,501)
Others

>  <Form> (1,501)
Free Base

>  <URL> (1,501)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (1,501)
2216-51-5

$$$$
TEGISON (etretinate).cdx
csChFnd80/10101813202D

 26 26  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 14 24  1  0  0  0  0
 18 25  1  0  0  0  0
 20 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,502)
2996

>  <Formula> (1,502)
C23H30O3

>  <MolWeight> (1,502)
354.4825

>  <Item Name> (1,502)
Etretinate

>  <Catalog Number> (1,502)
S4699

>  <Synonyms> (1,502)
N/A

>  <Target> (1,502)
Retinoid Receptor

>  <Form> (1,502)
Free Base

>  <URL> (1,502)
http://www.selleckchem.com/products/etretinate.html

>  <CAS Number> (1,502)
54350-48-0

$$$$
S4726 Lauric Acid.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,503)
2999

>  <Formula> (1,503)
C12H24O2

>  <MolWeight> (1,503)
200.31776

>  <Item Name> (1,503)
Lauric Acid

>  <Catalog Number> (1,503)
S4726

>  <Synonyms> (1,503)
N/A

>  <Target> (1,503)
Others

>  <Form> (1,503)
Free Base

>  <URL> (1,503)
http://www.selleckchem.com/products/lauric-acid.html

>  <CAS Number> (1,503)
143-07-7

$$$$
LOXO-101.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,504)
3007

>  <Formula> (1,504)
C21H24F2N6O6S

>  <MolWeight> (1,504)
526.5136664

>  <Item Name> (1,504)
LOXO-101(sulfate)

>  <Catalog Number> (1,504)
S7960

>  <Synonyms> (1,504)
N/A

>  <Target> (1,504)
Trk receptor

>  <Form> (1,504)
sulfate

>  <URL> (1,504)
http://www.selleckchem.com/products/loxo-101.html

>  <CAS Number> (1,504)
1223405-08-0

$$$$
Pantoprazole.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,505)
3010

>  <Formula> (1,505)
C16H15F2N3O4S

>  <MolWeight> (1,505)
383.3698064

>  <Item Name> (1,505)
Pantoprazole (Protonix)

>  <Catalog Number> (1,505)
S2105

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
Proton Pump

>  <Form> (1,505)
Free Base

>  <URL> (1,505)
http://www.selleckchem.com/products/pantoprazole-protonix.html

>  <CAS Number> (1,505)
102625-70-7

$$$$
BMS-911543.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,506)
3015

>  <Formula> (1,506)
C23H28N8O

>  <MolWeight> (1,506)
432.52142

>  <Item Name> (1,506)
BMS-911543

>  <Catalog Number> (1,506)
S7144

>  <Synonyms> (1,506)
N/A

>  <Target> (1,506)
JAK

>  <Form> (1,506)
Free Base

>  <URL> (1,506)
http://www.selleckchem.com/products/bms-911543.html

>  <CAS Number> (1,506)
1271022-90-2

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/10101813202D

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,507)
3019

>  <Formula> (1,507)
C4H9NO2

>  <MolWeight> (1,507)
103.11976

>  <Item Name> (1,507)
4-Aminobutyric acid

>  <Catalog Number> (1,507)
S4700

>  <Synonyms> (1,507)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (1,507)
GABA Receptor

>  <Form> (1,507)
Free Base

>  <URL> (1,507)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (1,507)
56-12-2

$$$$
S4701 2-Deoxy-D-glucose.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,508)
3020

>  <Formula> (1,508)
C6H12O5

>  <MolWeight> (1,508)
164.15648

>  <Item Name> (1,508)
2-Deoxy-D-glucose

>  <Catalog Number> (1,508)
S4701

>  <Synonyms> (1,508)
2-deoxyglucose, NSC 15193

>  <Target> (1,508)
Others

>  <Form> (1,508)
Free Base

>  <URL> (1,508)
http://www.selleckchem.com/products/2-deoxy-d-glucose.html

>  <CAS Number> (1,508)
154-17-6

$$$$
S4702 Sarcosine.cdx
csChFnd80/10101813202D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,509)
3021

>  <Formula> (1,509)
C3H7NO2

>  <MolWeight> (1,509)
89.09318

>  <Item Name> (1,509)
Sarcosine

>  <Catalog Number> (1,509)
S4702

>  <Synonyms> (1,509)
N-methylglycine, Sarcosinic acid, Methylaminoacetic acid, Methylglycine

>  <Target> (1,509)
NMDAR

>  <Form> (1,509)
Free Base

>  <URL> (1,509)
http://www.selleckchem.com/products/sarcosine.html

>  <CAS Number> (1,509)
107-97-1

$$$$
S4723 (-)Epicatechin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,510)
3027

>  <Formula> (1,510)
C15H14O6

>  <MolWeight> (1,510)
290.26806

>  <Item Name> (1,510)
(-)Epicatechin

>  <Catalog Number> (1,510)
S4723

>  <Synonyms> (1,510)
L-Epicatechin, (-)-Epicatechol

>  <Target> (1,510)
Others

>  <Form> (1,510)
Free Base

>  <URL> (1,510)
http://www.selleckchem.com/products/-epicatechin.html

>  <CAS Number> (1,510)
490-46-0

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,511)
3028

>  <Formula> (1,511)
C21H26ClN3OS

>  <MolWeight> (1,511)
403.96864

>  <Item Name> (1,511)
Perphenazine

>  <Catalog Number> (1,511)
S4731

>  <Synonyms> (1,511)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (1,511)
Dopamine Receptor

>  <Form> (1,511)
Free Base

>  <URL> (1,511)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (1,511)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/10101813202D

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0816    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.8816    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.4816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9805    6.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1899    7.5319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7734    7.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7756    8.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9849    9.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1921    8.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9871   11.0217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9784    5.4411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4802    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6895    2.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2731    2.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2753    3.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4846    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6917    3.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4868    5.5806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4780    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  2  1  0  0  0  0
  9 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 26 33  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 34 41  2  0  0  0  0
M  END
>  <Mol_ID> (1,512)
3029

>  <Formula> (1,512)
C28H32ClN3O8S

>  <MolWeight> (1,512)
606.08698

>  <Item Name> (1,512)
Prochlorperazine dimaleate salt

>  <Catalog Number> (1,512)
S4631

>  <Synonyms> (1,512)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (1,512)
Dopamine Receptor

>  <Form> (1,512)
dimaleate

>  <URL> (1,512)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (1,512)
84-02-6

$$$$
Pamapimod.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    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  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  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
 15 17  1  0  0  0  0
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Pamapimod (R-1503, Ro4402257)

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S8125

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N/A

>  <Target> (1,513)
p38 MAPK

>  <Form> (1,513)
Free Base

>  <URL> (1,513)
http://www.selleckchem.com/products/pamapimod-r-1503-ro4402257.html

>  <CAS Number> (1,513)
449811-01-2

$$$$
AS101.cdx
csChFnd80/10101813202D

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C2H8Cl3NO2Te

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AS101

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S8301

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N/A

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Others

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Coordination Co

>  <URL> (1,514)
http://www.selleckchem.com/products/as101.html

>  <CAS Number> (1,514)
106566-58-9

$$$$
BFH772.cdx
csChFnd80/10101813202D

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3045

>  <Formula> (1,515)
C23H16F3N3O3

>  <MolWeight> (1,515)
439.3866496

>  <Item Name> (1,515)
BFH772

>  <Catalog Number> (1,515)
S8188

>  <Synonyms> (1,515)
BFH 772, BFH-772

>  <Target> (1,515)
VEGFR

>  <Form> (1,515)
Free Base

>  <URL> (1,515)
http://www.selleckchem.com/products/bfh772.html

>  <CAS Number> (1,515)
890128-81-1

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,516)
3054

>  <Formula> (1,516)
C20H29ClN2O5S

>  <MolWeight> (1,516)
444.97266

>  <Item Name> (1,516)
Tamsulosin hydrochloride

>  <Catalog Number> (1,516)
S4729

>  <Synonyms> (1,516)
Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (1,516)
Adrenergic Receptor

>  <Form> (1,516)
hydrochloride

>  <URL> (1,516)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (1,516)
106463-17-6

$$$$
BGP-15.cdx
csChFnd80/10101813202D

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3058

>  <Formula> (1,517)
C14H24Cl2N4O2

>  <MolWeight> (1,517)
351.27196

>  <Item Name> (1,517)
BGP-15 2HCl

>  <Catalog Number> (1,517)
S8370

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
PARP

>  <Form> (1,517)
dihydrochloride

>  <URL> (1,517)
http://www.selleckchem.com/products/bgp-15.html

>  <CAS Number> (1,517)
66611-37-8

$$$$
ARRY-380 (ONT-380, Irbinitinib).cdx
csChFnd80/10101813202D

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C26H24N8O2

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>  <Item Name> (1,518)
ARRY-380 (ONT-380)

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S8362

>  <Synonyms> (1,518)
Tucatinib

>  <Target> (1,518)
HER2

>  <Form> (1,518)
Free Base

>  <URL> (1,518)
http://www.selleckchem.com/products/arry-380-ont-380.html

>  <CAS Number> (1,518)
937263-43-9

$$$$
LY2801653 (Merestinib).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,519)
3063

>  <Formula> (1,519)
C30H22F2N6O3

>  <MolWeight> (1,519)
552.5308864

>  <Item Name> (1,519)
LY2801653 (Merestinib)

>  <Catalog Number> (1,519)
S7014

>  <Synonyms> (1,519)
N/A

>  <Target> (1,519)
c-Met

>  <Form> (1,519)
Free Base

>  <URL> (1,519)
http://www.selleckchem.com/products/ly2801653-merestinib.html

>  <CAS Number> (1,519)
1206799-15-6

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,520)
3071

>  <Formula> (1,520)
C36H30O16

>  <MolWeight> (1,520)
718.6138

>  <Item Name> (1,520)
Salvianolic acid B

>  <Catalog Number> (1,520)
S4735

>  <Synonyms> (1,520)
Lithospermate B

>  <Target> (1,520)
Others

>  <Form> (1,520)
Free Base

>  <URL> (1,520)
http://www.selleckchem.com/products/salvianolic-acid-b.html

>  <CAS Number> (1,520)
121521-90-2

$$$$
S4733 Retigabine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,521)
3077

>  <Formula> (1,521)
C16H18FN3O2

>  <MolWeight> (1,521)
303.3314232

>  <Item Name> (1,521)
Retigabine

>  <Catalog Number> (1,521)
S4733

>  <Synonyms> (1,521)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid|D-23129

>  <Target> (1,521)
Potassium Channel

>  <Form> (1,521)
Free Base

>  <URL> (1,521)
http://www.selleckchem.com/products/retigabine.html

>  <CAS Number> (1,521)
150812-12-7

$$$$
JNJ-42756493 (Erdafitinib).cdx
csChFnd80/10101813202D

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JNJ-42756493 (Erdafitinib)

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N/A

>  <Target> (1,522)
FGFR

>  <Form> (1,522)
Free Base

>  <URL> (1,522)
http://www.selleckchem.com/products/jnj-42756493-erdafitinib.html

>  <CAS Number> (1,522)
1346242-81-6

$$$$
Y-39983 HCl.cdx
csChFnd80/10101813202D

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>  <Formula> (1,523)
C16H18Cl2N4O

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>  <Item Name> (1,523)
Y-39983 HCl

>  <Catalog Number> (1,523)
S7935

>  <Synonyms> (1,523)
Y-33075 HCl

>  <Target> (1,523)
ROCK

>  <Form> (1,523)
dihydrochloride

>  <URL> (1,523)
http://www.selleckchem.com/products/y-39983-hcl.html

>  <CAS Number> (1,523)
173897-44-4

$$$$
APR-246 (PRIMA-1MET).cdx
csChFnd80/10101813202D

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>  <CAS Number> (1,524)
5291-32-7

$$$$
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csChFnd80/10101813202D

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15421-84-8

$$$$
AZD3293 (LY3314814).cdx
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>  <Target> (1,526)
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>  <Form> (1,526)
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>  <URL> (1,526)
http://www.selleckchem.com/products/azd3293-ly3314814.html

>  <CAS Number> (1,526)
1383982-64-6

$$$$
GSK2269557.cdx
csChFnd80/10101813202D

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Balipodect

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PDE

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Free Base

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http://www.selleckchem.com/products/tak-063.html

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csChFnd80/10101813202D

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Miransertib (ARQ 092)HCl

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Miransertib

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Akt

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hydrochloride

>  <URL> (1,533)
http://www.selleckchem.com/products/arq-092.html

>  <CAS Number> (1,533)
1313883-00-9

$$$$
Genistin.cdx
csChFnd80/10101813202D

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Free Base

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529-59-9

$$$$
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RRx-001

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   10.6838    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1879    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.4956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2512    6.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
  2 15  1  0  0  0  0
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 16 17  2  0  0  0  0
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 20 22  1  0  0  0  0
  3 23  2  0  0  0  0
  9 24  2  0  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,536)
3127

>  <Formula> (1,536)
C17H20N6O2

>  <MolWeight> (1,536)
340.3797

>  <Item Name> (1,536)
eFT-508 (eFT508)

>  <Catalog Number> (1,536)
S8275

>  <Synonyms> (1,536)
N/A

>  <Target> (1,536)
MNK

>  <Form> (1,536)
Free Base

>  <URL> (1,536)
http://www.selleckchem.com/products/eft-508.html

>  <CAS Number> (1,536)
1849590-01-7

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/10101813202D

 16 15  0  0  0  0  0  0  0  0999 V2000
    5.6000    3.5355    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.3231    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.9604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    3.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
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  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,537)
3138

>  <Formula> (1,537)
C8H11N2NaO4S

>  <MolWeight> (1,537)
254.23871

>  <Item Name> (1,537)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (1,537)
S4750

>  <Synonyms> (1,537)
N/A

>  <Target> (1,537)
Autophagy

>  <Form> (1,537)
sodium salt hyd

>  <URL> (1,537)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (1,537)
6209-17-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/10101813202D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.1812    5.1159    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2195    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    7.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6500    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  3  0  0  0  0
M  END
>  <Mol_ID> (1,538)
3139

>  <Formula> (1,538)
C20H22BrFN2O

>  <MolWeight> (1,538)
405.3038832

>  <Item Name> (1,538)
Citalopram HBr

>  <Catalog Number> (1,538)
S4749

>  <Synonyms> (1,538)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (1,538)
5-HT Receptor

>  <Form> (1,538)
hydrobromide

>  <URL> (1,538)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (1,538)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/10101813202D

 25 25  0  0  0  0  0  0  0  0999 V2000
    6.5550    3.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2274    4.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5550    2.5244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7693    4.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4007    3.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624    5.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2197    2.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7657    1.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    3.9228    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7693    6.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    3.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    5.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7825    0.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1928    4.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 14  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,539)
3140

>  <Formula> (1,539)
C18H24ClN3O3

>  <MolWeight> (1,539)
365.85446

>  <Item Name> (1,539)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (1,539)
S4748

>  <Synonyms> (1,539)
N/A

>  <Target> (1,539)
5-HT Receptor

>  <Form> (1,539)
hydrochloride

>  <URL> (1,539)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (1,539)
103639-04-9

$$$$
S4752 Corticosterone.cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8554    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0664    2.0975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6416    2.1025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8583    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2803    2.7951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0636    0.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0721    4.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9605    5.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6109    2.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
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  7 14  2  0  0  0  0
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  9 11  1  0  0  0  0
 11 16  1  0  0  0  0
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  1 25  1  6  0  0  0
  5 26  1  6  0  0  0
  2 27  1  1  0  0  0
  3 28  1  1  0  0  0
M  END
>  <Mol_ID> (1,540)
3141

>  <Formula> (1,540)
C21H30O4

>  <MolWeight> (1,540)
346.4605

>  <Item Name> (1,540)
Corticosterone

>  <Catalog Number> (1,540)
S4752

>  <Synonyms> (1,540)
17-deoxycortisol, 11¦Â,21-dihydroxyprogesterone

>  <Target> (1,540)
Glucocorticoid Receptor

>  <Form> (1,540)
Free Base

>  <URL> (1,540)
http://www.selleckchem.com/products/corticosterone.html

>  <CAS Number> (1,540)
50-22-6

$$$$
S4751 Cisapride.cdx
csChFnd80/10101813202D

 33 34  0  0  0  0  0  0  0  0999 V2000
    3.6442    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    4.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    4.2013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8560    1.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,541)
3142

>  <Formula> (1,541)
C23H31ClFN3O5

>  <MolWeight> (1,541)
483.9607432

>  <Item Name> (1,541)
Cisapride hydrate

>  <Catalog Number> (1,541)
S4751

>  <Synonyms> (1,541)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (1,541)
5-HT Receptor

>  <Form> (1,541)
hydrate

>  <URL> (1,541)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (1,541)
260779-88-2

$$$$
ASP8273 (Naquotinib).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,542)
3146

>  <Formula> (1,542)
C30H42N8O3

>  <MolWeight> (1,542)
562.70628

>  <Item Name> (1,542)
ASP8273 (Naquotinib)

>  <Catalog Number> (1,542)
S8412

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
EGFR

>  <Form> (1,542)
Free Base

>  <URL> (1,542)
http://www.selleckchem.com/products/naquotinib-asp8273.html

>  <CAS Number> (1,542)
1448232-80-1

$$$$
ONO-4059 (GS-4059).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,543)
3151

>  <Formula> (1,543)
C25H23ClN6O3

>  <MolWeight> (1,543)
490.94152

>  <Item Name> (1,543)
ONO-4059 (GS-4059) hydrochloride

>  <Catalog Number> (1,543)
S8166

>  <Synonyms> (1,543)
N/A

>  <Target> (1,543)
BTK

>  <Form> (1,543)
hydrochloride

>  <URL> (1,543)
http://www.selleckchem.com/products/ono-4059-gs-4059.html

>  <CAS Number> (1,543)
1439901-97-9

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/10101813202D

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25655-41-8

$$$$
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csChFnd80/10101813202D

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Nazartinib (EGF816, NVS-816)

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S7824

>  <Synonyms> (1,549)
N/A

>  <Target> (1,549)
EGFR

>  <Form> (1,549)
Free Base

>  <URL> (1,549)
http://www.selleckchem.com/products/nazartinib-egf816-nvs-816.html

>  <CAS Number> (1,549)
1508250-71-2

$$$$
CC-930.cdx
csChFnd80/10101813202D

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>  <Formula> (1,550)
C21H24ClF3N6O2

>  <MolWeight> (1,550)
484.9024696

>  <Item Name> (1,550)
Tanzisertib(CC-930)

>  <Catalog Number> (1,550)
S8490

>  <Synonyms> (1,550)
JNK-930|JNKI-1

>  <Target> (1,550)
JNK

>  <Form> (1,550)
hydrochloride

>  <URL> (1,550)
http://www.selleckchem.com/products/cc-930.html

>  <CAS Number> (1,550)
899805-25-5 (free base)

$$$$
Troglitazone (CS-045).cdx
csChFnd80/10101813202D

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>  <MolWeight> (1,551)
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S8432

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Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

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PPAR

>  <Form> (1,551)
Free Base

>  <URL> (1,551)
http://www.selleckchem.com/products/troglitazone-cs-045.html

>  <CAS Number> (1,551)
97322-87-7

$$$$
GSK2256098.cdx
csChFnd80/10101813202D

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C20H23ClN6O2

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>  <Item Name> (1,552)
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GTPL7939

>  <Target> (1,552)
FAK

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Free Base

>  <URL> (1,552)
http://www.selleckchem.com/products/gsk2256098.html

>  <CAS Number> (1,552)
1224887-10-8

$$$$
Azatadine dimaleate.cdx
csChFnd80/10101813202D

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VLX1570.cdx
csChFnd80/10101813202D

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1431280-51-1

$$$$
KPT-8602.cdx
csChFnd80/10101813202D

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$$$$
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1286770-55-5

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3056-17-5

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Sitravatinib (MGCD516 ).cdx
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MG-516

>  <Target> (1,560)
DDR2,EPHA3,Axl,Mer,FLT4,KDR,NTRK1,FLT1,etc

>  <Form> (1,560)
free base

>  <URL> (1,560)
http://www.selleckchem.com/products/sitravatinib-mgcd516.html

>  <CAS Number> (1,560)
1123837-84-2

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Tirofiban Hydrochloride

>  <Catalog Number> (1,561)
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>  <Synonyms> (1,561)
MK-383 Hydrochloride

>  <Target> (1,561)
GPIIb/IIIa

>  <Form> (1,561)
hydrochloride hydrate

>  <URL> (1,561)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

>  <CAS Number> (1,561)
150915-40-5

$$$$
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Abl,Lyn

>  <Form> (1,562)
Free Base

>  <URL> (1,562)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (1,562)
859212-16-1

$$$$
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>  <Synonyms> (1,563)
N/A

>  <Target> (1,563)
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>  <Form> (1,563)
free base

>  <URL> (1,563)
http://www.selleckchem.com/products/tpx-0005.html

>  <CAS Number> (1,563)
no

$$$$
GSK2982772.cdx
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N/A

>  <Target> (1,568)
PI3K¦Á 

>  <Form> (1,568)
Free base

>  <URL> (1,568)
http://www.selleckchem.com/products/tak-117-ink-1117-mln-1117.html

>  <CAS Number> (1,568)
1268454-23-4

$$$$
Sodium dichloroacetate(DCA).cdx
csChFnd80/10101813202D

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C2HCl2NaO2

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Sodium dichloroacetate (DCA)

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bichloroacetic acid, BCA

>  <Target> (1,569)
PDK

>  <Form> (1,569)
sodium salt

>  <URL> (1,569)
http://www.selleckchem.com/products/sodium-dichloroacetate-dca.html

>  <CAS Number> (1,569)
2156-56-1

$$$$
TSR-011 (Belizatinib).cdx
csChFnd80/10101813202D

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M  END
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3251

>  <Formula> (1,570)
C33H44FN5O3

>  <MolWeight> (1,570)
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>  <Item Name> (1,570)
Belizatinib (TSR-011)

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S8511

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
ALK,TRK

>  <Form> (1,570)
free base

>  <URL> (1,570)
http://www.selleckchem.com/products/tsr-011-belizatinib.html

>  <CAS Number> (1,570)
1357920-84-3

$$$$
S 38093.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,571)
3260

>  <Formula> (1,571)
C17H24N2O2

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>  <Item Name> (1,571)
S 38093

>  <Catalog Number> (1,571)
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N/A

>  <Target> (1,571)
human H3 receptor,mouse H3 receptor,rat H3 r

>  <Form> (1,571)
free base

>  <URL> (1,571)
http://www.selleckchem.com/products/S-38093.html

>  <CAS Number> (1,571)
862896-30-8

$$$$
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csChFnd80/10101813202D

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Met,ALK 

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http://www.selleckchem.com/products/ensartinib-x-396.html

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1370651-20-9

$$$$
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FLT3,Axl 

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http://www.selleckchem.com/products/gilteritinib-asp2215.html

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1254053-43-4

$$$$
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csChFnd80/10101813202D

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http://www.selleckchem.com/products/tucidinostat-chidamide.html

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743420-02-2

$$$$
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761423-87-4

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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 23  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  6  0  0  0
 11 17  1  0  0  0  0
 14 18  1  1  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
  7 25  1  1  0  0  0
M  END
>  <Mol_ID> (1,576)
3276

>  <Formula> (1,576)
C19H30O2

>  <MolWeight> (1,576)
290.4403

>  <Item Name> (1,576)
Dihydrotestosterone (DHT)

>  <Catalog Number> (1,576)
S4757

>  <Synonyms> (1,576)
androstanolone, stanolone, 5¦Á-DHT

>  <Target> (1,576)
androgen receptor

>  <Form> (1,576)
free base

>  <URL> (1,576)
http://www.selleckchem.com/products/dihydrotestosterone.html

>  <CAS Number> (1,576)
521-18-6

$$$$
S3612 Rosmarinic acid.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
   10.9118    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.7905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    2.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.1905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3366    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.8905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3366    0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5501    2.8031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242    4.1905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.2905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5549    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6372    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9906    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
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  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 24  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,577)
3278

>  <Formula> (1,577)
C18H16O8

>  <MolWeight> (1,577)
360.31484

>  <Item Name> (1,577)
Rosmarinic acid

>  <Catalog Number> (1,577)
S3612

>  <Synonyms> (1,577)
Rosemary acid

>  <Target> (1,577)
IKK ¦Â

>  <Form> (1,577)
free base

>  <URL> (1,577)
http://www.selleckchem.com/products/rosmarinic-acid.html

>  <CAS Number> (1,577)
20283-92-5

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/10101813202D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.4612    5.3353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4663    6.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399    4.5435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    4.5186    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2702    7.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6935    7.4492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7487    3.2064    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1484    3.1897    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9332    4.9464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2665    8.8465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0550    6.7476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6898    8.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9138    2.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9573    2.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4588    9.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5212    2.2439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4463   10.9546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    1.1239    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.5596    1.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8073    0.2933    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.2782    1.4087    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    4.7197    2.6997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8314    0.1299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9933    0.8528    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3328    2.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    4.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    4.3109    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2306    2.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5527    5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0548    0.3387    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  7  8  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  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
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,578)
3283

>  <Formula> (1,578)
C14H25N4NaO11P2

>  <MolWeight> (1,578)
510.305792

>  <Item Name> (1,578)
Citicoline sodium

>  <Catalog Number> (1,578)
S3619

>  <Synonyms> (1,578)
CDP-choline

>  <Target> (1,578)
Others

>  <Form> (1,578)
sodium salt

>  <URL> (1,578)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (1,578)
33818-15-4

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8376    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6192    3.9243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0440    3.9451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432    1.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4128    3.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2504    4.6554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336    5.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7543    2.7387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,579)
3288

>  <Formula> (1,579)
C7H11ClN2O2S

>  <MolWeight> (1,579)
222.69244

>  <Item Name> (1,579)
Mafenide hydrochloride

>  <Catalog Number> (1,579)
S3697

>  <Synonyms> (1,579)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (1,579)
carbonic anhydrase

>  <Form> (1,579)
hydrochloride

>  <URL> (1,579)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (1,579)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.8680    4.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1638    4.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555    4.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8680    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5262    6.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1538    3.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3826    6.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6948    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    6.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5061    4.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2958    7.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0612    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603    4.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0508    0.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8684    5.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643    0.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1411    2.0332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,580)
3289

>  <Formula> (1,580)
C19H22ClN

>  <MolWeight> (1,580)
299.83768

>  <Item Name> (1,580)
Nortriptyline hydrochloride

>  <Catalog Number> (1,580)
S3698

>  <Synonyms> (1,580)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (1,580)
Kv channels

>  <Form> (1,580)
hydrochloride

>  <URL> (1,580)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (1,580)
894-71-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/10101813202D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6286    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666    4.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    4.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4903    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    4.9001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9149    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9148    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1272    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5163    1.5549    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6286    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8410    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    3.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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M  END
>  <Mol_ID> (1,581)
3291

>  <Formula> (1,581)
C20H26ClNO3

>  <MolWeight> (1,581)
363.87834

>  <Item Name> (1,581)
Benactyzine hydrochloride

>  <Catalog Number> (1,581)
S3701

>  <Synonyms> (1,581)
N/A

>  <Target> (1,581)
AChR

>  <Form> (1,581)
hydrochloride

>  <URL> (1,581)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (1,581)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,582)
3292

>  <Formula> (1,582)
CH4N2O

>  <MolWeight> (1,582)
60.05526

>  <Item Name> (1,582)
Urea

>  <Catalog Number> (1,582)
S3687

>  <Synonyms> (1,582)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (1,582)
Others

>  <Form> (1,582)
free base

>  <URL> (1,582)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (1,582)
57-13-6

$$$$
S3633 Pyrrolidinedithiocarbamate (ammonium).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,583)
3301

>  <Formula> (1,583)
C5H12N2S2

>  <MolWeight> (1,583)
164.29218

>  <Item Name> (1,583)
Pyrrolidinedithiocarbamate ammonium

>  <Catalog Number> (1,583)
S3633

>  <Synonyms> (1,583)
APDC, PDTC

>  <Target> (1,583)
NF-¦ÊB

>  <Form> (1,583)
ammonium salt

>  <URL> (1,583)
http://www.selleckchem.com/products/pyrrolidinedithiocarbamate-ammoniumammonium.html

>  <CAS Number> (1,583)
5108-96-3

$$$$
S3622 Diammonium Glycyrrhizinate.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,584)
3302

>  <Formula> (1,584)
C42H68N2O16

>  <MolWeight> (1,584)
856.99312

>  <Item Name> (1,584)
Diammonium Glycyrrhizinate

>  <Catalog Number> (1,584)
S3622

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
Others

>  <Form> (1,584)
ammonium salt 

>  <URL> (1,584)
http://www.selleckchem.com/products/diammonium-glycyrrhizinate.html

>  <CAS Number> (1,584)
79165-06-3

$$$$
S3610 Cordycepin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,585)
3310

>  <Formula> (1,585)
C10H13N5O3

>  <MolWeight> (1,585)
251.24192

>  <Item Name> (1,585)
Cordycepin

>  <Catalog Number> (1,585)
S3610

>  <Synonyms> (1,585)
N/A

>  <Target> (1,585)
Others

>  <Form> (1,585)
free base

>  <URL> (1,585)
http://www.selleckchem.com/products/cordycepin.html

>  <CAS Number> (1,585)
73-03-0

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/10101813202D

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 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,586)
3311

>  <Formula> (1,586)
C17H19FN2O7S

>  <MolWeight> (1,586)
414.4053632

>  <Item Name> (1,586)
Pazufloxacin mesylate

>  <Catalog Number> (1,586)
S3621

>  <Synonyms> (1,586)
T-3762, Pazucross

>  <Target> (1,586)
Antifection

>  <Form> (1,586)
methanesulfonate

>  <URL> (1,586)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (1,586)
163680-77-1

$$$$
S3625 Tyramine.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6425    2.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0760    2.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2260    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2928    2.7937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,587)
3313

>  <Formula> (1,587)
C8H11NO

>  <MolWeight> (1,587)
137.17904

>  <Item Name> (1,587)
Tyramine

>  <Catalog Number> (1,587)
S3625

>  <Synonyms> (1,587)
4-hydroxyphenethylamine, para-tyramine, mydrial, uteramin

>  <Target> (1,587)
Others

>  <Form> (1,587)
free base

>  <URL> (1,587)
http://www.selleckchem.com/products/tyramine.html

>  <CAS Number> (1,587)
51-67-2

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/10101813202D

 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
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    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
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  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,588)
3320

>  <Formula> (1,588)
C8H18ClNO2

>  <MolWeight> (1,588)
195.68702

>  <Item Name> (1,588)
Methacholine chloride

>  <Catalog Number> (1,588)
S3684

>  <Synonyms> (1,588)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (1,588)
muscarinic receptor

>  <Form> (1,588)
chloride

>  <URL> (1,588)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (1,588)
62-51-1

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.4711    2.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4570    4.2181    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7887    2.4183    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0892    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0764    4.2050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7663    4.6507    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6522    3.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2409    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0992    1.8028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0864    5.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6887    2.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2280    5.5993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
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  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
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  7 12  1  0  0  0  0
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 10 15  1  0  0  0  0
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  2 26  1  6  0  0  0
M  END
>  <Mol_ID> (1,589)
3324

>  <Formula> (1,589)
C16H17KN2O5S

>  <MolWeight> (1,589)
388.47988

>  <Item Name> (1,589)
Penicillin V potassium salt

>  <Catalog Number> (1,589)
S3650

>  <Synonyms> (1,589)
Phenoxymethylpenicillin potassium salt

>  <Target> (1,589)
Antifection

>  <Form> (1,589)
potassium salt

>  <URL> (1,589)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (1,589)
132-98-9

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/10101813202D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.6123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    3.3123    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6374    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2120    5.3647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 12 10  1  0  0  0  0
  3 18  1  1  0  0  0
  2 19  1  0  0  0  0
 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,590)
3325

>  <Formula> (1,590)
C7H10N3NaO6S

>  <MolWeight> (1,590)
287.22557

>  <Item Name> (1,590)
Avibactam sodium

>  <Catalog Number> (1,590)
S3732

>  <Synonyms> (1,590)
AVE-1330A, NXL104

>  <Target> (1,590)
 ¦Â-lactamase

>  <Form> (1,590)
sodium salt

>  <URL> (1,590)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (1,590)
1192491-61-4

$$$$
S3646 Thimerosal.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  2  0  0  0  0
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M  END
>  <Mol_ID> (1,591)
3327

>  <Formula> (1,591)
C9H9HgNaO2S

>  <MolWeight> (1,591)
404.81133

>  <Item Name> (1,591)
Thimerosal

>  <Catalog Number> (1,591)
S3646

>  <Synonyms> (1,591)
Thiomersalate, Mercurothiolate

>  <Target> (1,591)
Antifection

>  <Form> (1,591)
sodium salt

>  <URL> (1,591)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (1,591)
54-64-8

$$$$
Chondroitin sulfate.cdx
csChFnd80/10101813202D

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 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
  4 32  1  6  0  0  0
A   33
n
M  END
>  <Mol_ID> (1,592)
3328

>  <Formula> (1,592)
C16H27NO14RS

>  <MolWeight> (1,592)
489.44888

>  <Item Name> (1,592)
Chondroitin sulfate

>  <Catalog Number> (1,592)
S2416

>  <Synonyms> (1,592)
N/A

>  <Target> (1,592)
Others

>  <Form> (1,592)
sulfate

>  <URL> (1,592)
http://www.selleckchem.com/products/chondroitin-sulfate.html

>  <CAS Number> (1,592)
9007-28-7

$$$$
S3668 Thymopentin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,593)
3334

>  <Formula> (1,593)
C30H49N9O9

>  <MolWeight> (1,593)
679.76496

>  <Item Name> (1,593)
Thymopentin

>  <Catalog Number> (1,593)
S3668

>  <Synonyms> (1,593)
TP5

>  <Target> (1,593)
Immunology & Inflammation related

>  <Form> (1,593)
free base

>  <URL> (1,593)
http://www.selleckchem.com/products/thymopentin.html

>  <CAS Number> (1,593)
69558-55-0

$$$$
S3667 Imipenem.cdx
csChFnd80/10101813202D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.5166    2.8041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,594)
3335

>  <Formula> (1,594)
C12H19N3O5S

>  <MolWeight> (1,594)
317.36136

>  <Item Name> (1,594)
Imipenem

>  <Catalog Number> (1,594)
S3667

>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
AmpC ¦Â-lactamase

>  <Form> (1,594)
hydrate

>  <URL> (1,594)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (1,594)
74431-23-5

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/10101813202D

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   15.9036   10.1746    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,595)
3337

>  <Formula> (1,595)
C18H16N6Na2O8S3

>  <MolWeight> (1,595)
586.52958

>  <Item Name> (1,595)
Cefonicid sodium

>  <Catalog Number> (1,595)
S3672

>  <Synonyms> (1,595)
Cefonicid sodium

>  <Target> (1,595)
Antifection

>  <Form> (1,595)
disodium salt

>  <URL> (1,595)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (1,595)
61270-78-8

$$$$
S3674 Levamlodipine.cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Formula> (1,596)
C20H25ClN2O5

>  <MolWeight> (1,596)
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>  <Item Name> (1,596)
Levamlodipine

>  <Catalog Number> (1,596)
S3674

>  <Synonyms> (1,596)
S-amlodipine

>  <Target> (1,596)
calcium channel

>  <Form> (1,596)
free base

>  <URL> (1,596)
http://www.selleckchem.com/products/levamlodipine.html

>  <CAS Number> (1,596)
103129-82-4

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/10101813202D

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3340

>  <Formula> (1,597)
C19H22ClNO

>  <MolWeight> (1,597)
315.83708

>  <Item Name> (1,597)
Doxepin hydrochloride

>  <Catalog Number> (1,597)
S3120

>  <Synonyms> (1,597)
N/A

>  <Target> (1,597)
CYP2D6

>  <Form> (1,597)
hydrochloride

>  <URL> (1,597)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (1,597)
1229-29-4

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,598)
3343

>  <Formula> (1,598)
C11H14ClN

>  <MolWeight> (1,598)
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>  <Item Name> (1,598)
Pargyline hydrochloride

>  <Catalog Number> (1,598)
S3690

>  <Synonyms> (1,598)
Pargylamine hydrochloride

>  <Target> (1,598)
monoamine oxidase (MAO)-B

>  <Form> (1,598)
hydrochloride 

>  <URL> (1,598)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (1,598)
306-07-0

$$$$
S3713 Moxidectin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,599)
3346

>  <Formula> (1,599)
C37H53NO8

>  <MolWeight> (1,599)
639.81862

>  <Item Name> (1,599)
Moxidectin

>  <Catalog Number> (1,599)
S3713

>  <Synonyms> (1,599)
milbemycin B

>  <Target> (1,599)
Antifection

>  <Form> (1,599)
free base

>  <URL> (1,599)
http://www.selleckchem.com/products/moxidectin.html

>  <CAS Number> (1,599)
113507-06-5

$$$$
S3671 Quinestrol.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,600)
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>  <Formula> (1,600)
C25H32O2

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Quinestrol

>  <Catalog Number> (1,600)
S3671

>  <Synonyms> (1,600)
Ethinylestradiol 3-cyclopentyl ether, EE2CPE, W-3566

>  <Target> (1,600)
Estrogen/progestogen Receptor

>  <Form> (1,600)
free base

>  <URL> (1,600)
http://www.selleckchem.com/products/quinestrol.html

>  <CAS Number> (1,600)
152-43-2

$$$$
Iopromide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,601)
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>  <Formula> (1,601)
C18H24I3N3O8

>  <MolWeight> (1,601)
791.11187

>  <Item Name> (1,601)
Iopromide

>  <Catalog Number> (1,601)
S3207

>  <Synonyms> (1,601)
N/A

>  <Target> (1,601)
Others

>  <Form> (1,601)
free base

>  <URL> (1,601)
http://www.selleckchem.com/products/iopromide.html

>  <CAS Number> (1,601)
73334-07-3

$$$$
S3726 Selexipag.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,602)
3349

>  <Formula> (1,602)
C26H32N4O4S

>  <MolWeight> (1,602)
496.62168

>  <Item Name> (1,602)
Selexipag

>  <Catalog Number> (1,602)
S3726

>  <Synonyms> (1,602)
NS-304, ACT-293987

>  <Target> (1,602)
prostacyclin IP receptor

>  <Form> (1,602)
free base

>  <URL> (1,602)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (1,602)
475086-01-2

$$$$
S3728 Grazoprevir.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,603)
3350

>  <Formula> (1,603)
C38H50N6O9S

>  <MolWeight> (1,603)
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>  <Item Name> (1,603)
Grazoprevir

>  <Catalog Number> (1,603)
S3728

>  <Synonyms> (1,603)
MK5172

>  <Target> (1,603)
Hepatitis C Virus NS3/4A Protease

>  <Form> (1,603)
free base

>  <URL> (1,603)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (1,603)
1350514-68-9

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,604)
3352

>  <Formula> (1,604)
C9H12Cl2N4O2

>  <MolWeight> (1,604)
279.12318

>  <Item Name> (1,604)
Tipiracil hydrochloride

>  <Catalog Number> (1,604)
S3731

>  <Synonyms> (1,604)
MA-1 hydrochloride

>  <Target> (1,604)
thymidine phosphorylase

>  <Form> (1,604)
hydrochloride

>  <URL> (1,604)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,604)
183204-72-0

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0716    3.4967    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  3 25  1  6  0  0  0
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M  END
>  <Mol_ID> (1,605)
3353

>  <Formula> (1,605)
C22H32O3

>  <MolWeight> (1,605)
344.48768

>  <Item Name> (1,605)
Medroxyprogesterone

>  <Catalog Number> (1,605)
S3635

>  <Synonyms> (1,605)
MP

>  <Target> (1,605)
progesterone receptor

>  <Form> (1,605)
free base

>  <URL> (1,605)
http://www.selleckchem.com/products/medroxyprogesterone.html

>  <CAS Number> (1,605)
520-85-4

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/10101813202D

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.7837    2.7189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7837    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    2.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3241    4.1728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0432    4.8756    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1837    2.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0432    0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4000    1.8972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,606)
3354

>  <Formula> (1,606)
C16H19N3O6S

>  <MolWeight> (1,606)
381.40356

>  <Item Name> (1,606)
Cefadroxil hydrate

>  <Catalog Number> (1,606)
S3636

>  <Synonyms> (1,606)
N/A

>  <Target> (1,606)
Antifection

>  <Form> (1,606)
hydrate

>  <URL> (1,606)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (1,606)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/10101813202D

 41 44  0  0  0  0  0  0  0  0999 V2000
   14.8107   10.8966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7000   10.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5327    6.0110    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,607)
3355

>  <Formula> (1,607)
C22H24N6O9S3

>  <MolWeight> (1,607)
612.65576

>  <Item Name> (1,607)
Cefpirome sulfate

>  <Catalog Number> (1,607)
S3637

>  <Synonyms> (1,607)
N/A

>  <Target> (1,607)
Antifection

>  <Form> (1,607)
sulfate

>  <URL> (1,607)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (1,607)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/10101813202D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,608)
3356

>  <Formula> (1,608)
C19H17N6NaO6S2

>  <MolWeight> (1,608)
512.49465

>  <Catalog Number> (1,608)
S3638

>  <Synonyms> (1,608)
N/A

>  <Target> (1,608)
penicillin-binding proteins

>  <Form> (1,608)
sodium salt

>  <URL> (1,608)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (1,608)
42540-40-9

$$$$
S3640 Methoxyphenamine (Hydrochloride).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,609)
3357

>  <Formula> (1,609)
C11H18ClNO

>  <MolWeight> (1,609)
215.71972

>  <Item Name> (1,609)
Methoxyphenamine Hydrochloride

>  <Catalog Number> (1,609)
S3640

>  <Synonyms> (1,609)
2-methoxy-N-methylamphetamine Hydrochloride, OMMA Hydrochloride

>  <Target> (1,609)
 ¦Â-adrenergic receptor

>  <Form> (1,609)
hydrochloride

>  <URL> (1,609)
http://www.selleckchem.com/products/methoxyphenamine-hydrochloride.html

>  <CAS Number> (1,609)
5588-10-3

$$$$
S3648 Amlexanox.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,610)
3361

>  <Formula> (1,610)
C16H14N2O4

>  <MolWeight> (1,610)
298.29336

>  <Item Name> (1,610)
Amlexanox

>  <Catalog Number> (1,610)
S3648

>  <Synonyms> (1,610)
AA-673, CHX-3673

>  <Target> (1,610)
TBK1,IKK-¦Å

>  <Form> (1,610)
free base

>  <URL> (1,610)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (1,610)
68302-57-8

$$$$
S3649 Ceftazidime.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,611)
3362

>  <Formula> (1,611)
C22H22N6O7S2

>  <MolWeight> (1,611)
546.57608

>  <Item Name> (1,611)
Ceftazidime

>  <Catalog Number> (1,611)
S3649

>  <Synonyms> (1,611)
N/A

>  <Target> (1,611)
Antifection

>  <Form> (1,611)
inner salt

>  <URL> (1,611)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (1,611)
72558-82-8

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,612)
3364

>  <Formula> (1,612)
C44H49Cl2NO7

>  <MolWeight> (1,612)
774.76836

>  <Item Name> (1,612)
Vilanterol Trifenate

>  <Catalog Number> (1,612)
S3727

>  <Synonyms> (1,612)
GW642444M Trifenate

>  <Target> (1,612)
¦Â2-adrenoceptor

>  <Form> (1,612)
trifenatate

>  <URL> (1,612)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (1,612)
503070-58-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,613)
3365

>  <Formula> (1,613)
C19H28Cl2N6O6S2

>  <MolWeight> (1,613)
571.49822

>  <Item Name> (1,613)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (1,613)
S3655

>  <Synonyms> (1,613)
N/A

>  <Target> (1,613)
Antifection

>  <Form> (1,613)
dihydrochloride hydrate

>  <URL> (1,613)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (1,613)
123171-59-5

$$$$
S3656 Piribedil.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,614)
3366

>  <Formula> (1,614)
C16H18N4O2

>  <MolWeight> (1,614)
298.33972

>  <Item Name> (1,614)
Piribedil

>  <Catalog Number> (1,614)
S3656

>  <Synonyms> (1,614)
Trivastal, Trivastan

>  <Target> (1,614)
D3 receptor,adrenoceptor ¦Á2,D2 receptor

>  <Form> (1,614)
free base

>  <URL> (1,614)
http://www.selleckchem.com/products/piribedil.html

>  <CAS Number> (1,614)
3605-01-4

$$$$
S3657 Promestriene.cdx
csChFnd80/10101813202D

 27 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,615)
3367

>  <Formula> (1,615)
C22H32O2

>  <MolWeight> (1,615)
328.48828

>  <Item Name> (1,615)
Promestriene

>  <Catalog Number> (1,615)
S3657

>  <Synonyms> (1,615)
3-propyl ethyl, 17B-methyl estradiol

>  <Target> (1,615)
Estrogen Receptor

>  <Form> (1,615)
free base

>  <URL> (1,615)
http://www.selleckchem.com/products/promestriene.html

>  <CAS Number> (1,615)
39219-28-8

$$$$
S3658 O6-Benzylguanine.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
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    3.6598    9.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,616)
3368

>  <Formula> (1,616)
C12H11N5O

>  <MolWeight> (1,616)
241.24864

>  <Item Name> (1,616)
O6-Benzylguanine

>  <Catalog Number> (1,616)
S3658

>  <Synonyms> (1,616)
O6-BG

>  <Target> (1,616)
O6-alkylguanine DNA alkyltransferase

>  <Form> (1,616)
free base

>  <URL> (1,616)
http://www.selleckchem.com/products/o6-benzylguanine.html

>  <CAS Number> (1,616)
19916-73-5

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.8356    2.7560    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  3 10  1  0  0  0  0
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  7 15  1  0  0  0  0
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  9 17  1  0  0  0  0
  9 32  1  6  0  0  0
 10 13  1  0  0  0  0
 11 16  1  0  0  0  0
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 18 22  2  0  0  0  0
 19 21  1  0  0  0  0
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 19 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
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 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,617)
3369

>  <Formula> (1,617)
C23H31FO6

>  <MolWeight> (1,617)
422.4870432

>  <Item Name> (1,617)
Fludrocortisone acetate

>  <Catalog Number> (1,617)
S3659

>  <Synonyms> (1,617)
9¦Á-fluorocortisol acetate

>  <Target> (1,617)
others

>  <Form> (1,617)
free base

>  <URL> (1,617)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (1,617)
514-36-3

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/10101813202D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.3495    7.7811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6646    8.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2513    8.6612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0371    6.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2889    9.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4812    6.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2469   10.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0249    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270    5.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7104    5.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6838   10.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6856    9.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8779    7.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3455   10.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   10.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216    8.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
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  7 15  1  0  0  0  0
  8 16  2  0  0  0  0
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 11 14  1  0  0  0  0
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 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,618)
3370

>  <Formula> (1,618)
C19H23Cl2N5O2

>  <MolWeight> (1,618)
424.32422

>  <Item Name> (1,618)
Pirenzepine dihydrochloride

>  <Catalog Number> (1,618)
S3662

>  <Synonyms> (1,618)
N/A

>  <Target> (1,618)
AChR

>  <Form> (1,618)
dihydrochloride

>  <URL> (1,618)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (1,618)
29868-97-1

$$$$
S3663 Afloqualone.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0865    2.8372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2911    2.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 14  2  0  0  0  0
 11 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,619)
3371

>  <Formula> (1,619)
C16H14FN3O

>  <MolWeight> (1,619)
283.3002632

>  <Item Name> (1,619)
Afloqualone

>  <Catalog Number> (1,619)
S3663

>  <Synonyms> (1,619)
HQ-495

>  <Target> (1,619)
GABAA ¦Â receptor

>  <Form> (1,619)
free base

>  <URL> (1,619)
http://www.selleckchem.com/products/afloqualone.html

>  <CAS Number> (1,619)
56287-74-2

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/10101813202D

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    6.2995    5.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    2.7980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576    5.0232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9678    4.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7173    6.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1227    6.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    5.5344    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6660    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2323    0.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933    6.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3029    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6379    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,620)
3372

>  <Formula> (1,620)
C15H14N4O2S

>  <MolWeight> (1,620)
314.36226

>  <Item Name> (1,620)
Sulfaphenazole

>  <Catalog Number> (1,620)
S3673

>  <Synonyms> (1,620)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (1,620)
CYP2C9

>  <Form> (1,620)
free base

>  <URL> (1,620)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (1,620)
526-08-9

$$$$
S3742 Cholic acid.cdx
csChFnd80/10101813202D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,621)
3374

>  <Formula> (1,621)
C24H40O5

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408.5714

>  <Item Name> (1,621)
Cholic acid

>  <Catalog Number> (1,621)
S3742

>  <Synonyms> (1,621)
N/A

>  <Target> (1,621)
Others

>  <Form> (1,621)
free base

>  <URL> (1,621)
http://www.selleckchem.com/products/cholic-acid.html

>  <CAS Number> (1,621)
81-25-4

$$$$
S3669 Carmustine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,622)
3377

>  <Formula> (1,622)
C5H9Cl2N3O2

>  <MolWeight> (1,622)
214.04986

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Carmustine

>  <Catalog Number> (1,622)
S3669

>  <Synonyms> (1,622)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (1,622)
Others

>  <Form> (1,622)
free base

>  <URL> (1,622)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (1,622)
154-93-8

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,623)
3378

>  <Formula> (1,623)
C19H18CaN2O9

>  <MolWeight> (1,623)
458.43222

>  <Item Name> (1,623)
Carbasalate Calcium

>  <Catalog Number> (1,623)
S3711

>  <Synonyms> (1,623)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (1,623)
platelet aggregation

>  <Form> (1,623)
calcium salt

>  <URL> (1,623)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (1,623)
5749-67-7

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/10101813202D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,624)
3379

>  <Formula> (1,624)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (1,624)
864.2865126

>  <Item Name> (1,624)
Cangrelor Tetrasodium

>  <Catalog Number> (1,624)
S3737

>  <Synonyms> (1,624)
AR-C69931MX

>  <Target> (1,624)
P2Y12 receptor

>  <Form> (1,624)
tetrasodium salt

>  <URL> (1,624)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (1,624)
163706-36-3

$$$$
S3743 Oxiglutatione.cdx
csChFnd80/10101813202D

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Oxiglutatione

>  <Catalog Number> (1,625)
S3743

>  <Synonyms> (1,625)
Oxidized glutathione, Glutathione disulfide, GSSG, Bi(glutathion-S-yl)

>  <Target> (1,625)
Others

>  <Form> (1,625)
free base

>  <URL> (1,625)
http://www.selleckchem.com/products/oxiglutatione.html

>  <CAS Number> (1,625)
27025-41-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/10101813202D

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>  <Formula> (1,626)
C26H40O3

>  <MolWeight> (1,626)
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>  <Item Name> (1,626)
Testosterone Enanthate

>  <Catalog Number> (1,626)
S3717

>  <Synonyms> (1,626)
Testosterone heptanoate, NSC-17591

>  <Target> (1,626)
androgen receptor

>  <Form> (1,626)
free base

>  <URL> (1,626)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (1,626)
315-37-7

$$$$
S3714 Lifitegrast.cdx
csChFnd80/10101813202D

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>  <Formula> (1,627)
C29H24Cl2N2O7S

>  <MolWeight> (1,627)
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>  <Item Name> (1,627)
Lifitegrast

>  <Catalog Number> (1,627)
S3714

>  <Synonyms> (1,627)
SAR1118

>  <Target> (1,627)
Integrin

>  <Form> (1,627)
free base

>  <URL> (1,627)
http://www.selleckchem.com/products/lifitegrast.html

>  <CAS Number> (1,627)
1025967-78-5

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/10101813202D

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Leuprorelin Acetate

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GnRHR

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acetate

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http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (1,628)
74381-53-6

$$$$
S3719 Topiroxostat.cdx
csChFnd80/10101813202D

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N/A

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XOR

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free base

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

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577778-58-6

$$$$
S3720 Elafibranor.cdx
csChFnd80/10101813202D

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>  <MolWeight> (1,630)
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>  <Item Name> (1,630)
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PPAR¦Á,PPAR¦Ä

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free base

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

>  <CAS Number> (1,630)
923978-27-2

$$$$
S3722 Isavuconazole.cdx
csChFnd80/10101813202D

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   11.6003    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  3  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  2  7  1  0  0  0  0
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 11  5  1  0  0  0  0
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 11 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,631)
3389

>  <Formula> (1,631)
C22H17F2N5OS

>  <MolWeight> (1,631)
437.4650864

>  <Item Name> (1,631)
Isavuconazole

>  <Catalog Number> (1,631)
S3722

>  <Synonyms> (1,631)
BAL-4815, RO-0094815

>  <Target> (1,631)
Antifection

>  <Form> (1,631)
free base

>  <URL> (1,631)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (1,631)
241479-67-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/10101813202D

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    2.7486    2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4273    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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
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  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,632)
3390

>  <Formula> (1,632)
C17H18ClN3O

>  <MolWeight> (1,632)
315.79732

>  <Item Name> (1,632)
Ramosetron Hydrochloride

>  <Catalog Number> (1,632)
S3723

>  <Synonyms> (1,632)
YM-060

>  <Target> (1,632)
5-HT3 receptor

>  <Form> (1,632)
hydrochloride

>  <URL> (1,632)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (1,632)
132907-72-3

$$$$
S3724 Velpatasvir.cdx
csChFnd80/10101813202D

 65 73  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.8239    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0622   10.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.1523    5.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,633)
3391

>  <Formula> (1,633)
C49H54N8O8

>  <MolWeight> (1,633)
883.00186

>  <Item Name> (1,633)
Velpatasvir

>  <Catalog Number> (1,633)
S3724

>  <Synonyms> (1,633)
GS-5816

>  <Target> (1,633)
NS5A

>  <Form> (1,633)
free base

>  <URL> (1,633)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (1,633)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,634)
3392

>  <Formula> (1,634)
C29H34BrNO2

>  <MolWeight> (1,634)
508.48976

>  <Item Name> (1,634)
Umeclidinium bromide

>  <Catalog Number> (1,634)
S3735

>  <Synonyms> (1,634)
N/A

>  <Target> (1,634)
mAChR

>  <Form> (1,634)
bromide

>  <URL> (1,634)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (1,634)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,635)
3395

>  <Formula> (1,635)
C17H17N3Na2O8

>  <MolWeight> (1,635)
437.31172

>  <Item Name> (1,635)
Balsalazide disodium

>  <Catalog Number> (1,635)
S3745

>  <Synonyms> (1,635)
N/A

>  <Target> (1,635)
Immunology & Inflammation related

>  <Form> (1,635)
disodium salt dihydrate

>  <URL> (1,635)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (1,635)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,636)
3396

>  <Formula> (1,636)
C30H32Cl3NO

>  <MolWeight> (1,636)
528.94018

>  <Item Name> (1,636)
Lumefantrine

>  <Catalog Number> (1,636)
S3746

>  <Synonyms> (1,636)
benflumetol

>  <Target> (1,636)
Antifection

>  <Form> (1,636)
free base

>  <URL> (1,636)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (1,636)
82186-77-4

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/10101813202D

 32 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,637)
3400

>  <Formula> (1,637)
C24H32ClNO6

>  <MolWeight> (1,637)
465.96698

>  <Item Name> (1,637)
Sarpogrelate hydrochloride

>  <Catalog Number> (1,637)
S3706

>  <Synonyms> (1,637)
MCI-9042

>  <Target> (1,637)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (1,637)
hydrochloride

>  <URL> (1,637)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (1,637)
135159-51-2

$$$$
S3716 Flibanserin.cdx
csChFnd80/10101813202D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 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> (1,638)
3404

>  <Formula> (1,638)
C20H21F3N4O

>  <MolWeight> (1,638)
390.4021496

>  <Item Name> (1,638)
Flibanserin

>  <Catalog Number> (1,638)
S3716

>  <Synonyms> (1,638)
BIMT-17, BIMT-17-BS

>  <Target> (1,638)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (1,638)
free base

>  <URL> (1,638)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (1,638)
167933-07-5

$$$$
S3739 Calcipotriene.cdx
csChFnd80/10101813202D

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    1.2150    0.7015    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6424    0.7030    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
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  3  8  1  1  0  0  0
  4  9  2  0  0  0  0
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 15 20  1  0  0  0  0
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 15 31  1  6  0  0  0
 12 32  1  6  0  0  0
M  END
>  <Mol_ID> (1,639)
3408

>  <Formula> (1,639)
C27H40O3

>  <MolWeight> (1,639)
412.6047

>  <Item Name> (1,639)
Calcipotriene

>  <Catalog Number> (1,639)
S3739

>  <Synonyms> (1,639)
Calcipotriol

>  <Target> (1,639)
Others

>  <Form> (1,639)
free base

>  <URL> (1,639)
http://www.selleckchem.com/products/calcipotriene.html

>  <CAS Number> (1,639)
112965-21-6

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/10101813202D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1910    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    3.4870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.7747    2.2587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (1,640)
3413

>  <Formula> (1,640)
C6H14ClNO5

>  <MolWeight> (1,640)
215.63206

>  <Item Name> (1,640)
Glucosamine hydrochloride

>  <Catalog Number> (1,640)
S3694

>  <Synonyms> (1,640)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (1,640)
Others

>  <Form> (1,640)
hydrochloride

>  <URL> (1,640)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

>  <CAS Number> (1,640)
66-84-2

$$$$
S3738 Travoprost.cdx
csChFnd80/10101813202D

 35 36  0  0  0  0  0  0  0  0999 V2000
    2.6979    7.7081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    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
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 30 33  1  0  0  0  0
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M  END
>  <Mol_ID> (1,641)
3414

>  <Formula> (1,641)
C26H35F3O6

>  <MolWeight> (1,641)
500.5477096

>  <Item Name> (1,641)
Travoprost

>  <Catalog Number> (1,641)
S3738

>  <Synonyms> (1,641)
Travoprostum

>  <Target> (1,641)
 Prostaglandin F receptor

>  <Form> (1,641)
free base

>  <URL> (1,641)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (1,641)
157283-68-6

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/10101813202D

 39 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,642)
3415

>  <Formula> (1,642)
C27H45N5O5

>  <MolWeight> (1,642)
519.6767

>  <Item Name> (1,642)
Boceprevir

>  <Catalog Number> (1,642)
S3733

>  <Synonyms> (1,642)
N/A

>  <Target> (1,642)
hepatitis C virus (HCV) protease

>  <Form> (1,642)
free base

>  <URL> (1,642)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (1,642)
394730-60-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2300    2.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0060    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    4.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4107    0.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0217    4.8807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    4.8855    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9008    4.9819    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,643)
3418

>  <Formula> (1,643)
C7H5NaO2

>  <MolWeight> (1,643)
144.10317

>  <Item Name> (1,643)
Sodium benzoate

>  <Catalog Number> (1,643)
S3750

>  <Synonyms> (1,643)
Benzoic acid sodium salt

>  <Target> (1,643)
Antifection

>  <Form> (1,643)
sodium salt

>  <URL> (1,643)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (1,643)
532-32-1

$$$$
S3730 Metaxalone.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6554    3.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679    4.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4361    4.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    1.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807    3.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    3.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2939    4.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    4.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733    3.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4434    5.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5077    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8111    5.8775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    4.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,644)
3421

>  <Formula> (1,644)
C12H15NO3

>  <MolWeight> (1,644)
221.2524

>  <Item Name> (1,644)
Metaxalone

>  <Catalog Number> (1,644)
S3730

>  <Synonyms> (1,644)
Skelaxin, Methaxalonum, Zorane

>  <Target> (1,644)
Others

>  <Form> (1,644)
free base

>  <URL> (1,644)
http://www.selleckchem.com/products/metaxalone.html

>  <CAS Number> (1,644)
1665-48-1

$$$$
S3747 Levothyroxine sodium.cdx
csChFnd80/10101813202D

 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6552    3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8689    4.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    2.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4652    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0827    3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    3.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0827    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2409    2.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780    0.0253    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1980    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2948    1.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703    1.4059    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    8.5073    3.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2929    5.6020    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0293    1.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5015    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7203    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1500    1.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9384    3.5064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1500    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3627    2.1029    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.5056    2.1006    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  6  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,645)
3422

>  <Formula> (1,645)
C15H10I4NNaO4

>  <MolWeight> (1,645)
798.85185

>  <Item Name> (1,645)
Levothyroxine sodium

>  <Catalog Number> (1,645)
S3747

>  <Synonyms> (1,645)
L-T4 sodium, L-Thyroxine sodium, LT4 sodium

>  <Target> (1,645)
Thyroid hormone receptor

>  <Form> (1,645)
sodium salt

>  <URL> (1,645)
http://www.selleckchem.com/products/levothyroxine-sodium.html

>  <CAS Number> (1,645)
55-03-8

$$$$
S3729 Iron sucrose.cdx
csChFnd80/10101813202D

 44 39  0  0  0  0  0  0  0  0999 V2000
   10.7681   12.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9806   11.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5557   11.3178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7681   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1930   12.0178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9806    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054   11.3178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1930   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4054    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179   12.0178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8303   11.3178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6179   13.4178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0428   12.0178    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8303    9.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8228    6.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0352    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6103    6.2300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8228    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2476    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0352    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2476    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4601    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6725    6.9300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.8849    6.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6725    8.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0974    6.9300    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.8849    4.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8724    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0848    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6599    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8724    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2972    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0848    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5097    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2972    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5097    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7221    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9345    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7221    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1470    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.9345    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   28.7298    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    0.0000   28.7298    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  5  7  1  0  0  0  0
  5  8  1  1  0  0  0
  7  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  6  0  0  0
 19 21  1  0  0  0  0
 19 22  1  1  0  0  0
 21 23  1  1  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  1  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  2  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  6  0  0  0
 33 35  1  0  0  0  0
 33 36  1  1  0  0  0
 35 37  1  1  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  1  0  0  0
 39 41  1  0  0  0  0
 39 42  2  0  0  0  0
M  END
>  <Mol_ID> (1,646)
3426

>  <Formula> (1,646)
C18H24Fe2O24

>  <MolWeight> (1,646)
736.05876

>  <Item Name> (1,646)
Iron sucrose

>  <Catalog Number> (1,646)
S3729

>  <Synonyms> (1,646)
Iron saccharate, Sucroferric oxyhydroxide

>  <Target> (1,646)
Others

>  <Form> (1,646)
Iron saccharate

>  <URL> (1,646)
http://www.selleckchem.com/products/iron-sucrose.html

>  <CAS Number> (1,646)
8047-67-4

$$$$
S3736 Fondaparinux Sodium.cdx
csChFnd80/10101813202D

101 95  0  0  0  0  0  0  0  0999 V2000
   13.4021    7.0383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6403    7.7651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.2207    7.1728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5834    7.1190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8486    7.7651    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4859    7.8997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9493    7.6574    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4859    5.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.7511    5.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.7851    5.9345    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0600    5.6921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7978    9.8109    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6572    9.7302    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.0772    3.8079    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.8248    7.0921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1607    6.9575    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2445    9.1379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.7243    3.0272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.4021    5.6921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.7511    7.2266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0600    7.0651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1738   10.2686    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2145    1.4390    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5367    1.5735    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   23.2816    5.8807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2476    5.7999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8486    4.9655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5834    5.6921    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.5199    5.1538    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7110    6.9305    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.0362    7.8189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3451    7.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8248    5.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1607    5.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6403    5.0461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.2983    4.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2816    7.3074    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.9894    5.1538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7851    7.3344    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.5199    8.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0031    4.9115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7110    5.5576    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6135    9.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   24.5467    3.7001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   27.0503    8.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   25.5208   11.1562    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   20.4896   11.2292    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   16.8437   11.5937    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   12.3958   11.6667    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.1354   10.8646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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   28.3646    2.4792    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   23.1875    2.4062    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.8021    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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   13.2345   10.1278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 19  1  1  0  0  0  0
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 15  2  1  0  0  0  0
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 34 16  1  0  0  0  0
 17 46  1  0  0  0  0
 60 17  1  0  0  0  0
 71 17  2  0  0  0  0
 18 47  1  0  0  0  0
 59 18  1  0  0  0  0
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 72 18  2  0  0  0  0
 35 19  1  0  0  0  0
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 54 50  1  0  0  0  0
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 90 89  1  0  0  0  0
 17101  2  0  0  0  0
M  END
>  <Mol_ID> (1,647)
3429

>  <Formula> (1,647)
C31H43N3Na10O49S8

>  <MolWeight> (1,647)
1728.08152

>  <Item Name> (1,647)
Fondaparinux Sodium

>  <Catalog Number> (1,647)
S3736

>  <Synonyms> (1,647)
Natural heparin pentasaccharide Sodium

>  <Target> (1,647)
Factor Xa

>  <Form> (1,647)
decasodium salt

>  <URL> (1,647)
http://www.selleckchem.com/products/fondaparinux-sodium.html

>  <CAS Number> (1,647)
114870-03-0

$$$$
S3751 Quinidine sulfate.cdx
csChFnd80/10101813202D

 59 62  0  0  0  0  0  0  0  0999 V2000
   22.8927    4.9788    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.4929    4.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3212    4.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8927    3.5789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8927    6.3569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4305   15.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0306   15.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4681    2.1811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7664    2.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4644    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2802    2.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7664    4.2548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.9531    2.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2093    0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0562    2.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9909    4.9618    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5660    4.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.4751    7.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1531    5.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3557    7.1012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7797    8.4799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6665    6.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6978    9.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9102   10.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8722    3.8637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830    8.2307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    2.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    3.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    1.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    3.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9226    4.5465    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1093    2.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8271    0.2917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1472    5.2535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7223    5.2395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1117    1.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
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 43 48  1  0  0  0  0
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 43 58  1  6  0  0  0
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 49 53  1  0  0  0  0
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 53 54  1  0  0  0  0
 53 55  1  0  0  0  0
 53 59  1  6  0  0  0
 54 56  1  6  0  0  0
 56 57  2  0  0  0  0
M  END
>  <Mol_ID> (1,648)
3430

>  <Formula> (1,648)
C40H54N4O10S

>  <MolWeight> (1,648)
782.94256

>  <Item Name> (1,648)
Quinidine sulfate

>  <Catalog Number> (1,648)
S3751

>  <Synonyms> (1,648)
Chinidin Sodium, Pitayine Sodium, ¦Â-quinine Sodium, (+)-quinidine Sodium

>  <Target> (1,648)
sodium channels

>  <Form> (1,648)
sulfate dihydrate

>  <URL> (1,648)
http://www.selleckchem.com/products/quinidine-sulfate.html

>  <CAS Number> (1,648)
6591-63-5

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/10101813202D

 32 33  0  0  0  0  0  0  0  0999 V2000
    7.6533    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6533    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0782    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0782    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8658    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4409   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4409    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2285   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2906    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5031    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,649)
3431

>  <Formula> (1,649)
C23H27Cl2F3N2OS

>  <MolWeight> (1,649)
507.4394896

>  <Item Name> (1,649)
Flupenthixol dihydrochloride

>  <Catalog Number> (1,649)
S3664

>  <Synonyms> (1,649)
N/A

>  <Target> (1,649)
dopamine receptors

>  <Form> (1,649)
dihydrochloride

>  <URL> (1,649)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (1,649)
51529-01-2

$$$$
S3741 Benznidazole.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,650)
3432

>  <Formula> (1,650)
C12H12N4O3

>  <MolWeight> (1,650)
260.24868

>  <Item Name> (1,650)
Benznidazole

>  <Catalog Number> (1,650)
S3741

>  <Synonyms> (1,650)
Radanil

>  <Target> (1,650)
Antifection

>  <Form> (1,650)
free base

>  <URL> (1,650)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (1,650)
22994-85-0

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/10101813202D

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A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (1,651)
3433

>  <Formula> (1,651)
C5H10NO4RS-

>  <MolWeight> (1,651)
180.2022

>  <Item Name> (1,651)
Acamprosate CalciuM

>  <Catalog Number> (1,651)
S3748

>  <Synonyms> (1,651)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (1,651)
GABA Receptor

>  <Form> (1,651)
calcium salt

>  <URL> (1,651)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (1,651)
77337-73-6

$$$$
Colchicine.cdx
csChFnd80/10101813202D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,652)
3435

>  <Formula> (1,652)
C22H25NO6

>  <MolWeight> (1,652)
399.437

>  <Item Name> (1,652)
Colchicine

>  <Catalog Number> (1,652)
S2284

>  <Synonyms> (1,652)
Colchineos, Colchisol, Colcin

>  <Target> (1,652)
Microtubule Associated inhibitor 

>  <Form> (1,652)
free base

>  <URL> (1,652)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,652)
64-86-8

$$$$
octocrylene.cdx
csChFnd80/10101813202D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,653)
3438

>  <Formula> (1,653)
C24H27NO2

>  <MolWeight> (1,653)
361.47668

>  <Item Name> (1,653)
Octocrylene

>  <Catalog Number> (1,653)
S1750

>  <Synonyms> (1,653)
N/A

>  <Target> (1,653)
Others

>  <Form> (1,653)
free base

>  <URL> (1,653)
http://www.selleckchem.com/products/octocrylene.html

>  <CAS Number> (1,653)
6197-30-4

$$$$
S3666 Ilaprazole.cdx
csChFnd80/10101813202D

 26 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,654)
3440

>  <Formula> (1,654)
C19H18N4O2S

>  <MolWeight> (1,654)
366.43682

>  <Item Name> (1,654)
Ilaprazole

>  <Catalog Number> (1,654)
S3666

>  <Synonyms> (1,654)
IY-81149

>  <Target> (1,654)
Proton pump,TOPK 

>  <Form> (1,654)
free base

>  <URL> (1,654)
http://www.selleckchem.com/products/ilaprazole.html

>  <CAS Number> (1,654)
172152-36-2

$$$$
S4758 Crocin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,655)
3457

>  <Formula> (1,655)
C44H64O24

>  <MolWeight> (1,655)
976.96456

>  <Item Name> (1,655)
Crocin

>  <Catalog Number> (1,655)
S4758

>  <Synonyms> (1,655)
Alpha-Crocin, Gardenia Yellow

>  <Target> (1,655)
Others

>  <Form> (1,655)
free base

>  <URL> (1,655)
http://www.selleckchem.com/products/crocin.html

>  <CAS Number> (1,655)
42553-65-1

$$$$
S3654 Tauroursodeoxycholic Acid.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,656)
3463

>  <Formula> (1,656)
C26H45NO6S

>  <MolWeight> (1,656)
499.7036

>  <Item Name> (1,656)
Tauroursodeoxycholic Acid

>  <Catalog Number> (1,656)
S3654

>  <Synonyms> (1,656)
N/A

>  <Target> (1,656)
Others

>  <Form> (1,656)
free base

>  <URL> (1,656)
http://www.selleckchem.com/products/tauroursodeoxycholic-acid.html

>  <CAS Number> (1,656)
14605-22-2

$$$$
S3954 Alphalipoic acid.cdx
csChFnd80/10101813202D

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    4.6407    1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283    2.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  1  5  1  0  0  0  0
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  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,657)
3483

>  <Formula> (1,657)
C8H14O2S2

>  <MolWeight> (1,657)
206.32556

>  <Item Name> (1,657)
Alphalipoic acid

>  <Catalog Number> (1,657)
S3954

>  <Synonyms> (1,657)
thioctic acid

>  <Target> (1,657)
ROS

>  <Form> (1,657)
free base

>  <URL> (1,657)
http://www.selleckchem.com/products/alphalipoic-acid.html

>  <CAS Number> (1,657)
1077-28-7

$$$$
S3960 Higenamine hydrochloride.cdx
csChFnd80/10101813202D

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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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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,658)
3485

>  <Formula> (1,658)
C16H18ClNO3

>  <MolWeight> (1,658)
307.77202

>  <Item Name> (1,658)
Higenamine hydrochloride

>  <Catalog Number> (1,658)
S3960

>  <Synonyms> (1,658)
Higenamine hydrochloride

>  <Target> (1,658)
¦Â2-adrenoceptor,¦Á1-adrenoceptor

>  <Form> (1,658)
hydrochloride

>  <URL> (1,658)
http://www.selleckchem.com/products/higenamine-hydrochloride.html

>  <CAS Number> (1,658)
11041-94-4

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4046    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956    4.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    4.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,659)
3491

>  <Formula> (1,659)
C8H8O3

>  <MolWeight> (1,659)
152.14732

>  <Item Name> (1,659)
Methyl salicylate

>  <Catalog Number> (1,659)
S3756

>  <Synonyms> (1,659)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (1,659)
TRPA1,TRPV1

>  <Form> (1,659)
free base

>  <URL> (1,659)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (1,659)
119-36-8

$$$$
S3834 Astaxanthin.cdx
csChFnd80/10101813202D

 44 45  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0160    1.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1161    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3156    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.1948    6.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   29.0985    3.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   30.3109    2.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    5.5156    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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  1  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,660)
3510

>  <Formula> (1,660)
C40H52O4

>  <MolWeight> (1,660)
596.83848

>  <Item Name> (1,660)
Astaxanthin

>  <Catalog Number> (1,660)
S3834

>  <Synonyms> (1,660)
¦Â-Carotene-4,4'-dione, trans-Astaxanthin

>  <Target> (1,660)
Others

>  <Form> (1,660)
free base

>  <URL> (1,660)
http://www.selleckchem.com/products/astaxanthin.html

>  <CAS Number> (1,660)
472-61-7

$$$$
S3835 Loganin.cdx
csChFnd80/10101813202D

 29 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.2655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5183    6.8329    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    3.5183    9.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  3  7  1  1  0  0  0
  3  8  1  0  0  0  0
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  5 10  2  0  0  0  0
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  6  9  1  0  0  0  0
 12  7  1  1  0  0  0
  8 10  1  0  0  0  0
  9 13  1  1  0  0  0
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  4 29  1  1  0  0  0
M  END
>  <Mol_ID> (1,661)
3511

>  <Formula> (1,661)
C17H26O10

>  <MolWeight> (1,661)
390.38234

>  <Item Name> (1,661)
Loganin

>  <Catalog Number> (1,661)
S3835

>  <Synonyms> (1,661)
Loganoside

>  <Target> (1,661)
AChE,BACE1,BChE

>  <Form> (1,661)
free base

>  <URL> (1,661)
http://www.selleckchem.com/products/loganin.html

>  <CAS Number> (1,661)
18524-94-2

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/10101813202D

 47 52  0  0  0  0  0  0  0  0999 V2000
   14.5413    4.9362    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.1165    4.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,662)
3517

>  <Formula> (1,662)
C40H58O4

>  <MolWeight> (1,662)
602.88612

>  <Item Name> (1,662)
Gamma-Oryzanol

>  <Catalog Number> (1,662)
S3957

>  <Synonyms> (1,662)
N/A

>  <Target> (1,662)
Others

>  <Form> (1,662)
free base

>  <URL> (1,662)
http://www.selleckchem.com/products/gamma-oryzanol.html

>  <CAS Number> (1,662)
11042-64-1

$$$$
S3968 Histamine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,663)
3519

>  <Formula> (1,663)
C5H9N3

>  <MolWeight> (1,663)
111.14506

>  <Item Name> (1,663)
Histamine

>  <Catalog Number> (1,663)
S3968

>  <Synonyms> (1,663)
N/A

>  <Target> (1,663)
Histamine receptor

>  <Form> (1,663)
free base

>  <URL> (1,663)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (1,663)
51-45-6

$$$$
S3766 Tanshinone IIA sulfonate (sodium).cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,664)
3522

>  <Formula> (1,664)
C19H17NaO6S

>  <MolWeight> (1,664)
396.38945

>  <Item Name> (1,664)
Tanshinone IIA sulfonate (sodium)

>  <Catalog Number> (1,664)
S3766

>  <Synonyms> (1,664)
N/A

>  <Target> (1,664)
CYP3A4

>  <Form> (1,664)
sodium salt

>  <URL> (1,664)
http://www.selleckchem.com/products/tanshinone-iia-sulfonate-sodium.html

>  <CAS Number> (1,664)
69659-80-9

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/10101813202D

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   25.4612    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,665)
3525

>  <Formula> (1,665)
C54H83NaO23

>  <MolWeight> (1,665)
1123.21279

>  <Item Name> (1,665)
Sodium Aescinate

>  <Catalog Number> (1,665)
S3770

>  <Synonyms> (1,665)
Escin sodium salt

>  <Target> (1,665)
Others

>  <Form> (1,665)
sodium salt

>  <URL> (1,665)
http://www.selleckchem.com/products/sodium-aescinate.html

>  <CAS Number> (1,665)
20977-05-3

$$$$
S3775 Ligustrazine hydrochloride.cdx
csChFnd80/10101813202D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6387    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    2.8209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    0.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    2.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2373    1.3237    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,666)
3529

>  <Formula> (1,666)
C8H13ClN2

>  <MolWeight> (1,666)
172.65522

>  <Item Name> (1,666)
Ligustrazine hydrochloride

>  <Catalog Number> (1,666)
S3775

>  <Synonyms> (1,666)
Tetramethylpyrazine HCl, Tetrapyrazine HCl

>  <Target> (1,666)
Immunology & Inflammation

>  <Form> (1,666)
hydrochloride

>  <URL> (1,666)
http://www.selleckchem.com/products/ligustrazine-hydrochloride.html

>  <CAS Number> (1,666)
76494-51-4

$$$$
S3758 Sinomenine hydrochloride.cdx
csChFnd80/10101813202D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6000    4.8497    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 19  1  6  0  0  0
  7 20  1  6  0  0  0
 21  9  1  0  0  0  0
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 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 21 25  1  6  0  0  0
 25 20  1  6  0  0  0
M  CFW  27 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,667)
3534

>  <Formula> (1,667)
C19H24ClNO4

>  <MolWeight> (1,667)
365.85116

>  <Item Name> (1,667)
Sinomenine hydrochloride

>  <Catalog Number> (1,667)
S3758

>  <Synonyms> (1,667)
Cucoline hydrochloride, Kukoline hydrochloride, Sabianine A hydrochloride

>  <Target> (1,667)
Immunology & Inflammation

>  <Form> (1,667)
hydrochloride

>  <URL> (1,667)
http://www.selleckchem.com/products/sinomenine-hydrochloride.html

>  <CAS Number> (1,667)
6080-33-7

$$$$
S3764 Isoferulic Acid.cdx
csChFnd80/10101813202D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.8451    3.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8483    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    4.2005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2707    3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4106    3.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    2.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    4.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095    1.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7407    3.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    5.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,668)
3536

>  <Formula> (1,668)
C10H10O4

>  <MolWeight> (1,668)
194.184

>  <Item Name> (1,668)
Isoferulic Acid

>  <Catalog Number> (1,668)
S3764

>  <Synonyms> (1,668)
Hesperetic acid, Hesperetate, Isoferulate

>  <Target> (1,668)
Others

>  <Form> (1,668)
free base

>  <URL> (1,668)
http://www.selleckchem.com/products/isoferulic-acid.html

>  <CAS Number> (1,668)
537-73-5

$$$$
S3779 cis-Anethol.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8516    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6401    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0649    2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4267    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    2.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898    2.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,669)
3539

>  <Formula> (1,669)
C10H12O

>  <MolWeight> (1,669)
148.20168

>  <Item Name> (1,669)
cis-Anethole

>  <Catalog Number> (1,669)
S3779

>  <Synonyms> (1,669)
(Z)-Anethole, Cis-p-Propenylanisole, Cis-p-Anethole

>  <Target> (1,669)
Others

>  <Form> (1,669)
free base

>  <URL> (1,669)
http://www.selleckchem.com/products/cis-anethole.html

>  <CAS Number> (1,669)
104-46-1

$$$$
S3755 Betaine.cdx
csChFnd80/10101813202D

  8  7  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,670)
3556

>  <Formula> (1,670)
C5H11NO2

>  <MolWeight> (1,670)
117.14634

>  <Item Name> (1,670)
Betaine

>  <Catalog Number> (1,670)
S3755

>  <Synonyms> (1,670)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (1,670)
Others

>  <Form> (1,670)
inner salt

>  <URL> (1,670)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (1,670)
107-43-7

$$$$
S3846 Eupatilin.cdx
csChFnd80/10101813202D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4324    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    2.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6344    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    2.1283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2614    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0454    4.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    2.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4564    0.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6655    0.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6796    2.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8886    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8815    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0836    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3068    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3139    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0977    2.8141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2162    4.9212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  2  0  0  0  0
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 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,671)
3566

>  <Formula> (1,671)
C18H16O7

>  <MolWeight> (1,671)
344.31544

>  <Item Name> (1,671)
Eupatilin

>  <Catalog Number> (1,671)
S3846

>  <Synonyms> (1,671)
NSC 122413

>  <Target> (1,671)
Others

>  <Form> (1,671)
free base

>  <URL> (1,671)
http://www.selleckchem.com/products/eupatilin.html

>  <CAS Number> (1,671)
22368-21-4

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/10101813202D

  7  7  0  0  0  0  0  0  0  0999 V2000
    0.8345    2.1470    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2345    2.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4157    0.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6808    0.8345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    3.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5567    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  5  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,672)
3572

>  <Formula> (1,672)
C3H6N2O2

>  <MolWeight> (1,672)
102.09194

>  <Item Name> (1,672)
L-Cycloserine

>  <Catalog Number> (1,672)
S3945

>  <Synonyms> (1,672)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (1,672)
3-ketodihydrosphingosine synthetase

>  <Form> (1,672)
free base

>  <URL> (1,672)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (1,672)
339-72-0

$$$$
S3979 Zinc Undecylenate.cdx
csChFnd80/10101813202D

 27 24  0  0  0  0  0  0  0  0999 V2000
   14.4179    1.7498    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
   13.3505    3.0039    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1744    3.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389    3.0393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1744    5.1098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4803    3.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    3.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0570    3.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8573    3.8864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2104    3.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1638    2.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 15 16  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,673)
3575

>  <Formula> (1,673)
C22H38O4Zn

>  <MolWeight> (1,673)
431.92472

>  <Item Name> (1,673)
Zinc Undecylenate

>  <Catalog Number> (1,673)
S3979

>  <Synonyms> (1,673)
Zinc diundec-10-enoate, Zinc 10-undecenoate

>  <Target> (1,673)
Antifection

>  <Form> (1,673)
zinc salt

>  <URL> (1,673)
http://www.selleckchem.com/products/zinc-undecylenate.html

>  <CAS Number> (1,673)
557-08-4

$$$$
S3889 Arteether.cdx
csChFnd80/10101813202D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1853    6.2825    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9815    5.6102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3939    5.6102    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1853    7.7029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5128    7.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9815    4.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6694    6.1086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    4.1899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6024    6.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939    8.3752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0896    8.5539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902    7.8110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2415    7.4536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6024    3.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    7.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7400    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 23  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 24  1  6  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  6  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
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 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,674)
3582

>  <Formula> (1,674)
C17H28O5

>  <MolWeight> (1,674)
312.40122

>  <Item Name> (1,674)
Arteether

>  <Catalog Number> (1,674)
S3889

>  <Synonyms> (1,674)
N/A

>  <Target> (1,674)
Others

>  <Form> (1,674)
free base

>  <URL> (1,674)
http://www.selleckchem.com/products/arteether.html

>  <CAS Number> (1,674)
75887-54-6

$$$$
S3881 Scopoletin.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8567    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8554    0.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6411    2.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0567    2.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6532    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711    0.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2715    2.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4309    0.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810    0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113    2.7913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4938    0.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
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 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,675)
3592

>  <Formula> (1,675)
C10H8O4

>  <MolWeight> (1,675)
192.16812

>  <Item Name> (1,675)
Scopoletin

>  <Catalog Number> (1,675)
S3881

>  <Synonyms> (1,675)
Esculetin 6-methyl ether, Gelseminic acid, 6-Methylesculetin, Chrysatropic acid

>  <Target> (1,675)
Immunology & Inflammation related

>  <Form> (1,675)
free base

>  <URL> (1,675)
http://www.selleckchem.com/products/scopoletin.html

>  <CAS Number> (1,675)
92-61-5

$$$$
S3809 Imperatorin.cdx
csChFnd80/10101813202D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.3622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5777    4.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1528    4.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5808    5.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    3.4947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0018    4.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,676)
3602

>  <Formula> (1,676)
C16H14O4

>  <MolWeight> (1,676)
270.27996

>  <Item Name> (1,676)
Imperatorin

>  <Catalog Number> (1,676)
S3809

>  <Synonyms> (1,676)
Ammidin, Marmelosin, Pentosalen, 8-Isoamylenoxypsoralen, 8-Isopentenyloxypsoralene

>  <Target> (1,676)
Calcium channel

>  <Form> (1,676)
free base

>  <URL> (1,676)
http://www.selleckchem.com/products/imperatorin.html

>  <CAS Number> (1,676)
482-44-0

$$$$
S3778 Patchouli alcohol.cdx
csChFnd80/10101813202D

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.8974    2.2469    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7063    4.1351    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2171    1.6063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2324    1.4318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2400    3.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368    4.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7460    4.6718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1437    2.5051    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8667    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    1.3982    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.4005    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,677)
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C15H26O

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>  <Item Name> (1,677)
Patchouli alcohol

>  <Catalog Number> (1,677)
S3778

>  <Synonyms> (1,677)
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor

>  <Target> (1,677)
Immunology & Inflammation related

>  <Form> (1,677)
free base

>  <URL> (1,677)
http://www.selleckchem.com/products/patchouli-alcohol.html

>  <CAS Number> (1,677)
5986-55-0

$$$$
S3681.cdx
csChFnd80/10101813202D

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3634

>  <Formula> (1,678)
C31H52O3

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>  <Item Name> (1,678)
Vitamin E Acetate

>  <Catalog Number> (1,678)
S3681

>  <Synonyms> (1,678)
Tocopherol acetate

>  <Target> (1,678)
Others

>  <Form> (1,678)
free base

>  <URL> (1,678)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (1,678)
58-95-7

$$$$
S3926 Forsythin.cdx
csChFnd80/10101813202D

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3642

>  <Formula> (1,679)
C27H34O11

>  <MolWeight> (1,679)
534.55226

>  <Item Name> (1,679)
Forsythin

>  <Catalog Number> (1,679)
S3926

>  <Synonyms> (1,679)
Phillyrin

>  <Target> (1,679)
Others

>  <Form> (1,679)
free base

>  <URL> (1,679)
http://www.selleckchem.com/products/forsythin.html

>  <CAS Number> (1,679)
487-41-2

$$$$
S3927 Swertiamarin.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,680)
3643

>  <Formula> (1,680)
C16H22O10

>  <MolWeight> (1,680)
374.33988

>  <Item Name> (1,680)
Swertiamarin

>  <Catalog Number> (1,680)
S3927

>  <Synonyms> (1,680)
Swertiamarin

>  <Target> (1,680)
Others

>  <Form> (1,680)
free base

>  <URL> (1,680)
http://www.selleckchem.com/products/swertiamarin.html

>  <CAS Number> (1,680)
17388-39-5

$$$$
S3907 Bulleyaconi cine A.cdx
csChFnd80/10101813202D

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    6.6337    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7188    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5261    5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8393    7.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5112    0.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9267    0.7538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6543    3.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6314    8.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    3.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    2.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6021    2.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1470    1.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  6  0  0  0
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  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 46  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,681)
3652

>  <Formula> (1,681)
C35H49NO9

>  <MolWeight> (1,681)
627.76486

>  <Item Name> (1,681)
Bulleyaconi cine A

>  <Catalog Number> (1,681)
S3907

>  <Synonyms> (1,681)
Bulleyaconitine A, Bulleyaconi cine A

>  <Target> (1,681)
Sodium channel

>  <Form> (1,681)
free base

>  <URL> (1,681)
http://www.selleckchem.com/products/bulleyaconi-cine-a.html

>  <CAS Number> (1,681)
107668-79-1

$$$$
S3851 Camphor.cdx
csChFnd80/10101813202D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7041    1.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7020    2.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2364    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,682)
3671

>  <Formula> (1,682)
C10H16O

>  <MolWeight> (1,682)
152.23344

>  <Item Name> (1,682)
Camphor

>  <Catalog Number> (1,682)
S3851

>  <Synonyms> (1,682)
2-Bornanone, Bornan-2-one, 2-Camphanone, Formosa

>  <Target> (1,682)
Others

>  <Form> (1,682)
free base

>  <URL> (1,682)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,682)
76-22-2

$$$$
S3854 Tetrahydropalmatine hydrochloride.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    7.3062    4.2163    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    6.0873    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5187    2.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8688    4.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  8 11  1  0  0  0  0
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 10 15  2  0  0  0  0
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 12 15  1  0  0  0  0
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M  END
>  <Mol_ID> (1,683)
3673

>  <Formula> (1,683)
C21H26ClNO4

>  <MolWeight> (1,683)
391.88844

>  <Item Name> (1,683)
Tetrahydropalmatine hydrochloride

>  <Catalog Number> (1,683)
S3854

>  <Synonyms> (1,683)
Gindarine hydrochloride, 1-Tetrahydropalmitine HCl

>  <Target> (1,683)
Others

>  <Form> (1,683)
hydrochloride

>  <URL> (1,683)
http://www.selleckchem.com/products/tetrahydropalmatine-hydrochloride.html

>  <CAS Number> (1,683)
6024-85-7

$$$$
S3897 (-)-Arctigenin.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    8.3586    2.1648    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9538    2.1536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1716    3.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8030    0.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1222    3.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5320    0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5637    3.1680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6741    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1366    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7325    3.1203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3785    4.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1500    1.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    1.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7736    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
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  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
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 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
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M  END
>  <Mol_ID> (1,684)
3682

>  <Formula> (1,684)
C21H24O6

>  <MolWeight> (1,684)
372.41166

>  <Item Name> (1,684)
(-)-Arctigenin

>  <Catalog Number> (1,684)
S3897

>  <Synonyms> (1,684)
N/A

>  <Target> (1,684)
Others

>  <Form> (1,684)
free base

>  <URL> (1,684)
http://www.selleckchem.com/products/neg-rotation-arctigenin.html

>  <CAS Number> (1,684)
7770-78-7

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10101813202D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,685)
3683

>  <Formula> (1,685)
C20H16N2O5

>  <MolWeight> (1,685)
364.35144

>  <Item Name> (1,685)
Hydroxy Camptothecine

>  <Catalog Number> (1,685)
S3898

>  <Synonyms> (1,685)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (1,685)
DNA topoisomerase I

>  <Form> (1,685)
free base

>  <URL> (1,685)
http://www.selleckchem.com/products/hydroxy-camptothecine.html

>  <CAS Number> (1,685)
64439-81-2

$$$$
S4779 Menadiol Diacetate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,686)
3724

>  <Formula> (1,686)
C15H14O4

>  <MolWeight> (1,686)
258.26926

>  <Item Name> (1,686)
Menadiol Diacetate

>  <Catalog Number> (1,686)
S4779

>  <Synonyms> (1,686)
Vitamin K4, Acetomenaphthone, Kapilin

>  <Target> (1,686)
Others

>  <Form> (1,686)
free base

>  <URL> (1,686)
http://www.selleckchem.com/products/menadiol-diacetate.html

>  <CAS Number> (1,686)
573-20-6

$$$$
S4769 L-5-Hydroxytryptophan.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,687)
3734

>  <Formula> (1,687)
C11H12N2O3

>  <MolWeight> (1,687)
220.22458

>  <Item Name> (1,687)
L-5-Hydroxytryptophan

>  <Catalog Number> (1,687)
S4769

>  <Synonyms> (1,687)
L-oxitriptan

>  <Target> (1,687)
Others

>  <Form> (1,687)
free base

>  <URL> (1,687)
http://www.selleckchem.com/products/l-5-hydroxytryptophan.html

>  <CAS Number> (1,687)
4350-09-8

$$$$
S3951 Tannic acid.cdx
csChFnd80/10101813202D

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100112  1  0  0  0  0
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101111  2  0  0  0  0
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105115  2  0  0  0  0
106116  1  0  0  0  0
107117  1  0  0  0  0
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115119  1  0  0  0  0
115120  1  0  0  0  0
116121  1  0  0  0  0
116119  2  0  0  0  0
119122  1  0  0  0  0
M  END
>  <Mol_ID> (1,688)
3779

>  <Formula> (1,688)
C76H52O46

>  <MolWeight> (1,688)
1701.19848

>  <Item Name> (1,688)
Tannic acid

>  <Catalog Number> (1,688)
S3951

>  <Synonyms> (1,688)
Gallotannic acid

>  <Target> (1,688)
CXCR4 

>  <Form> (1,688)
free base

>  <URL> (1,688)
http://www.selleckchem.com/products/tannic-acid.html

>  <CAS Number> (1,688)
1401-55-4

$$$$
S3975 Protocatechuic acid.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    3.6385    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4263    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    4.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0637    3.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    5.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
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  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,689)
3795

>  <Formula> (1,689)
C7H6O4

>  <MolWeight> (1,689)
154.12014

>  <Item Name> (1,689)
Protocatechuic acid

>  <Catalog Number> (1,689)
S3975

>  <Synonyms> (1,689)
3,4-Dihydroxybenzoic acid, Protocatechuate

>  <Target> (1,689)
Others

>  <Form> (1,689)
free base

>  <URL> (1,689)
http://www.selleckchem.com/products/protocatechuic-acid.html

>  <CAS Number> (1,689)
99-50-3

$$$$
S3980 Pyridoxine.cdx
csChFnd80/10101813202D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
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  5 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,690)
3799

>  <Formula> (1,690)
C8H11NO3

>  <MolWeight> (1,690)
169.17784

>  <Item Name> (1,690)
Pyridoxine

>  <Catalog Number> (1,690)
S3980

>  <Synonyms> (1,690)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (1,690)
Others

>  <Form> (1,690)
free base

>  <URL> (1,690)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (1,690)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/10101813202D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0395    3.7481    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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  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,691)
3800

>  <Formula> (1,691)
C20H22N4O10S

>  <MolWeight> (1,691)
510.47448

>  <Item Name> (1,691)
Cefuroxime axetil

>  <Catalog Number> (1,691)
S4813

>  <Synonyms> (1,691)
N/A

>  <Target> (1,691)
Antifection

>  <Form> (1,691)
free base

>  <URL> (1,691)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (1,691)
64544-07-6

$$$$
S3987 L-Tryptophan.cdx
csChFnd80/10101813202D

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7841    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    1.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3275    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1152    0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7841    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5708    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8230    3.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398    1.8313    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    2.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    2.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5398    0.4337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9607    1.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    3.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  1  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,692)
3813

>  <Formula> (1,692)
C11H12N2O2

>  <MolWeight> (1,692)
204.22518

>  <Item Name> (1,692)
L-Tryptophan

>  <Catalog Number> (1,692)
S3987

>  <Synonyms> (1,692)
N/A

>  <Target> (1,692)
Others

>  <Form> (1,692)
free base

>  <URL> (1,692)
http://www.selleckchem.com/products/l-tryptophan.html

>  <CAS Number> (1,692)
73-22-3

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10101813202D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,693)
3814

>  <Formula> (1,693)
C9H10N4O4

>  <MolWeight> (1,693)
238.2001

>  <Item Name> (1,693)
Theophylline-7-acetic acid

>  <Catalog Number> (1,693)
S3988

>  <Synonyms> (1,693)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (1,693)
adenosine receptor

>  <Form> (1,693)
free base

>  <URL> (1,693)
http://www.selleckchem.com/products/theophylline-7-acetic.html

>  <CAS Number> (1,693)
652-37-9

$$$$
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csChFnd80/10101813202D

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free base

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4180-23-8

$$$$
S3996 Thioctic acid.cdx
csChFnd80/10101813202D

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DL-¦Á-Lipoic Acid

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free base

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1077-28-7

$$$$
S4930 Cetilistat.cdx
csChFnd80/10101813202D

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ATL962

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pancreatic lipase

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free base

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>  <CAS Number> (1,696)
282526-98-1

$$$$
S3074 Chlortalidone.cdx
csChFnd80/10101813202D

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>  <Formula> (1,697)
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S3074

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Chlortalidone

>  <Target> (1,697)
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>  <Form> (1,697)
free base

>  <URL> (1,697)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (1,697)
77-36-1

$$$$
S5031 Sulfaquinoxaline sodium.cdx
csChFnd80/10101813202D

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>  <Formula> (1,698)
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Sulfaquinoxaline sodium

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S5031

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SQ-Na

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Anti-infection

>  <Form> (1,698)
sodium salt

>  <URL> (1,698)
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>  <CAS Number> (1,698)
967-80-6

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/10101813202D

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 35 37  2  0  0  0  0
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 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,699)
3863

>  <Formula> (1,699)
C25H27N5O10

>  <MolWeight> (1,699)
557.50938

>  <Item Name> (1,699)
Pixantrone Maleate

>  <Catalog Number> (1,699)
S5059

>  <Synonyms> (1,699)
BBR-2778

>  <Target> (1,699)
Topoisomerase

>  <Form> (1,699)
dimaleate

>  <URL> (1,699)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (1,699)
144675-97-8

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/10101813202D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   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
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4940    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1229    4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3311    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7064    5.7240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3311    2.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3 10  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 22 26  1  1  0  0  0
  8  9  3  0  0  0  0
 27 28  1  0  0  0  0
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 31 33  1  0  0  0  0
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M  END
>  <Mol_ID> (1,700)
3864

>  <Formula> (1,700)
C22H26FN5O6

>  <MolWeight> (1,700)
475.4701432

>  <Item Name> (1,700)
Trelagliptin succinate

>  <Catalog Number> (1,700)
S5063

>  <Synonyms> (1,700)
N/A

>  <Target> (1,700)
DPP-4

>  <Form> (1,700)
succinate

>  <URL> (1,700)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (1,700)
1029877-94-8

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/10101813202D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 Na  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
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,701)
3882

>  <Formula> (1,701)
C12H13N4NaO2S

>  <MolWeight> (1,701)
300.31199

>  <Item Name> (1,701)
Sulfamethazine Sodium Salt

>  <Catalog Number> (1,701)
S5210

>  <Synonyms> (1,701)
Sulfadimethyldiazine Sodium Salt

>  <Target> (1,701)
Anti-infection

>  <Form> (1,701)
sodium salt 

>  <URL> (1,701)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (1,701)
1981-58-4

$$$$
S5211 4-Aminosalicylic acid.cdx
csChFnd80/10101813202D

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.1858    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4942    1.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4849    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860    2.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1121    1.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003    3.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2216    1.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3486    3.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    2.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,702)
3883

>  <Formula> (1,702)
C7H7NO3

>  <MolWeight> (1,702)
153.13538

>  <Item Name> (1,702)
4-Aminosalicylic acid

>  <Catalog Number> (1,702)
S5211

>  <Synonyms> (1,702)
para-aminosalicylic acid, Aminosalicylic acid, 4-aminosalicylate

>  <Target> (1,702)
Anti-infection

>  <Form> (1,702)
free base

>  <URL> (1,702)
http://selleckchem.com/products/4-aminosalicylic-acid.html

>  <CAS Number> (1,702)
65-49-6

$$$$
S3776 Sophoricoside.cdx
csChFnd80/10101813202D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6274    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6274    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    4.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4239    4.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0362    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    2.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    0.6728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340    4.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2487    2.0924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2510    0.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5054    0.7321    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3496    2.8089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8848    2.8349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5170    2.1165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7177    0.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3496    4.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9350    0.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 24 28  1  6  0  0  0
 25 29  1  6  0  0  0
 25 27  1  0  0  0  0
 27 30  1  1  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,703)
3889

>  <Formula> (1,703)
C21H20O10

>  <MolWeight> (1,703)
432.3775

>  <Item Name> (1,703)
Sophoricoside

>  <Catalog Number> (1,703)
S3776

>  <Synonyms> (1,703)
N/A

>  <Target> (1,703)
Immunology & Inflammation related

>  <URL> (1,703)
http://selleckchem.com/products/sophoricoside.html

>  <CAS Number> (1,703)
152-95-4

$$$$
S4991 Valpromide.cdx
csChFnd80/10101813202D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.7912    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7004    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    1.2122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,704)
3894

>  <Formula> (1,704)
C8H17NO

>  <MolWeight> (1,704)
143.22668

>  <Item Name> (1,704)
Valpromide

>  <Catalog Number> (1,704)
S4991

>  <Synonyms> (1,704)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (1,704)
Others

>  <Form> (1,704)
free base

>  <URL> (1,704)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (1,704)
2430-27-5

$$$$
S5043 Benorylate.cdx
csChFnd80/10101813202D

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 12 15  2  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
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 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,705)
3897

>  <Formula> (1,705)
C17H15NO5

>  <MolWeight> (1,705)
313.3047

>  <Item Name> (1,705)
Benorylate
Benorylate

>  <Catalog Number> (1,705)
S5043

>  <Synonyms> (1,705)
Benorilate, Benoral, Benortan

>  <Target> (1,705)
Immunology & Inflammation related

>  <Form> (1,705)
free base

>  <URL> (1,705)
http://selleckchem.com/products/benorylate.html

>  <CAS Number> (1,705)
5003-48-5

$$$$
S5058 Revaprazan Hydrochloride.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0619    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6361    6.3138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4852    4.9095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2715    2.8106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6392    9.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9043    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8963    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
 10  2  1  0  0  0  0
  4  3  1  0  0  0  0
 11  4  1  0  0  0  0
  7  4  2  0  0  0  0
  8  5  2  0  0  0  0
 16  5  1  0  0  0  0
  9  6  1  0  0  0  0
 22  6  1  0  0  0  0
  7  8  1  0  0  0  0
 24  8  1  0  0  0  0
 23  9  1  0  0  0  0
  9 12  2  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 13  1  0  0  0  0
 25 12  1  0  0  0  0
 18 14  1  0  0  0  0
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 15 21  1  0  0  0  0
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 27 25  2  0  0  0  0
 27 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,706)
3900

>  <Formula> (1,706)
C22H24ClFN4

>  <MolWeight> (1,706)
398.9041632

>  <Item Name> (1,706)
Revaprazan Hydrochloride

>  <Catalog Number> (1,706)
S5058

>  <Synonyms> (1,706)
YH1885

>  <Target> (1,706)
Proton Pump

>  <URL> (1,706)
http://selleckchem.com/products/revaprazan-hydrochloride.html

>  <CAS Number> (1,706)
178307-42-1

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/10101813202D

 56 59  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,707)
3901

>  <Formula> (1,707)
C40H52Cl2N8O6

>  <MolWeight> (1,707)
811.79688

>  <Item Name> (1,707)
Daclatasvir Digydrochloride

>  <Catalog Number> (1,707)
S5062

>  <Synonyms> (1,707)
N/A

>  <Target> (1,707)
HCV Protease

>  <Form> (1,707)
dihydrochloride 

>  <URL> (1,707)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (1,707)
1009119-65-6

$$$$
S5220 D-Pantethine.cdx
csChFnd80/10101813202D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,708)
3914

>  <Formula> (1,708)
C22H42N4O8S2

>  <MolWeight> (1,708)
554.72088

>  <Item Name> (1,708)
D-Pantethine

>  <Catalog Number> (1,708)
S5220

>  <Synonyms> (1,708)
Bis-pantethine, Pantetina, Pantomin, Pantosin

>  <Target> (1,708)
Vitamin

>  <Form> (1,708)
free base

>  <URL> (1,708)
http://selleckchem.com/products/d-pantethine.html

>  <CAS Number> (1,708)
16816-67-4

$$$$
S5305 2-Bromo-N-carbamoyl-3-methylbutanamide.cdx
csChFnd80/10101813202D

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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,709)
3919

>  <Formula> (1,709)
C6H11BrN2O2

>  <MolWeight> (1,709)
223.06774

>  <Item Name> (1,709)
Bromisoval

>  <Catalog Number> (1,709)
S5305

>  <Synonyms> (1,709)
bromovalerylurea, Isobromyl, Bromaral, BRN 1773255, 2-Bromo-N-carbamoyl-3-methylbutanamide

>  <Target> (1,709)
Others

>  <Form> (1,709)
free base

>  <URL> (1,709)
http://selleckchem.com/products/bromisoval.html

>  <CAS Number> (1,709)
496-67-3

$$$$
S4836 Nilutamide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,710)
3925

>  <Formula> (1,710)
C12H10F3N3O4

>  <MolWeight> (1,710)
317.2207096

>  <Item Name> (1,710)
Nilutamide

>  <Catalog Number> (1,710)
S4836

>  <Synonyms> (1,710)
RU23908

>  <Target> (1,710)
Androgen Receptor

>  <URL> (1,710)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (1,710)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,711)
3926

>  <Formula> (1,711)
C14H18N2O

>  <MolWeight> (1,711)
230.30552

>  <Item Name> (1,711)
Ibudilast

>  <Catalog Number> (1,711)
S4837

>  <Synonyms> (1,711)
KC-404, AV411, MN166

>  <Target> (1,711)
PDE

>  <Form> (1,711)
free base

>  <URL> (1,711)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (1,711)
50847-11-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/10101813202D

 42 41  0  0  0  0  0  0  0  0999 V2000
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   15.0452    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1955    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2577    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,712)
3934

>  <Formula> (1,712)
C36H64Cl2N4

>  <MolWeight> (1,712)
623.82616

>  <Item Name> (1,712)
Octenidine Dihydrochloride

>  <Catalog Number> (1,712)
S5012

>  <Synonyms> (1,712)
N/A

>  <Target> (1,712)
Anti-infection

>  <URL> (1,712)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (1,712)
70775-75-6

$$$$
S4876 Robenidine Hydrochoride.cdx
csChFnd80/10101813202D

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   10.9712    3.1173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1888    2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4342    4.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6587    2.4387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6236    5.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8831    4.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0657    5.2236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2538    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,713)
3949

>  <Formula> (1,713)
C15H14Cl3N5

>  <MolWeight> (1,713)
370.66416

>  <Item Name> (1,713)
Robenidine Hydrochoride

>  <Catalog Number> (1,713)
S4876

>  <Synonyms> (1,713)
Dexium, Nugatex, Rasexinium, Toraxine

>  <Target> (1,713)
Anti-infection

>  <Form> (1,713)
hydrochloride 

>  <URL> (1,713)
http://selleckchem.com/products/robenidine-hydrochoride.html

>  <CAS Number> (1,713)
25875-50-7

$$$$
S4830 Maltose.cdx
csChFnd80/10101813202D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.4892    4.2666    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4892    5.6663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6958    3.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    6.3597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6696    2.0610    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2204    2.1836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.1608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8970    5.6630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6903    7.7663    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3888    1.3929    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8820    1.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080    1.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    6.3646    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8970    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4749    8.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8998    8.4646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    2.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    5.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1123    7.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611    7.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3233    4.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3380    6.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  2  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  6  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  1  0  0  0
 10 16  1  0  0  0  0
 10 17  1  1  0  0  0
 12 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  1  0  0  0
 16 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5 23  1  1  0  0  0
 11 24  1  1  0  0  0
M  END
>  <Mol_ID> (1,714)
3979

>  <Formula> (1,714)
C12H22O11

>  <MolWeight> (1,714)
342.29648

>  <Item Name> (1,714)
Maltose

>  <Catalog Number> (1,714)
S4830

>  <Synonyms> (1,714)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (1,714)
Others

>  <Form> (1,714)
free base

>  <URL> (1,714)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (1,714)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
   16.9679    2.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9679    0.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7533    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2878    2.5422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7582    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3144    0.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1236    1.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5416    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348    2.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414    0.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1255    2.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1395    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9115    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9218    0.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,715)
3980

>  <Formula> (1,715)
C19H30O5

>  <MolWeight> (1,715)
338.4385

>  <Item Name> (1,715)
Piperonyl butoxide

>  <Catalog Number> (1,715)
S4831

>  <Synonyms> (1,715)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (1,715)
Others

>  <URL> (1,715)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (1,715)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.2409    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0943    3.5143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9614    1.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    2.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4533    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7264    3.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1327    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281    2.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976    1.3887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6634    3.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1505    5.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969    2.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8933    4.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7518    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969    3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048    6.3783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3185    4.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,716)
3981

>  <Formula> (1,716)
C15H15NO3

>  <MolWeight> (1,716)
257.2845

>  <Item Name> (1,716)
Tolmetin

>  <Catalog Number> (1,716)
S4832

>  <Synonyms> (1,716)
Tolectin

>  <Target> (1,716)
Immunology & Inflammation related

>  <Form> (1,716)
free base

>  <URL> (1,716)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (1,716)
26171-23-3

$$$$
S4894 D-Glucurone.cdx
csChFnd80/10101813202D

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.9968    1.1327    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5966    1.1322    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1637    2.4636    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2961    3.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4289    2.4641    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4642    0.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8196    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7635    2.4631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3314    1.1316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    3.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603    2.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  1  0  0  0
  1  7  1  6  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  6  0  0  0
  5 12  1  0  0  0  0
M  CFW   6 BOND_GSTEREO 4
M  END
>  <Mol_ID> (1,717)
3998

>  <Formula> (1,717)
C6H8O6

>  <MolWeight> (1,717)
176.12412

>  <Item Name> (1,717)
D-Glucurone

>  <Catalog Number> (1,717)
S4894

>  <Synonyms> (1,717)
N/A

>  <Target> (1,717)
Others

>  <Form> (1,717)
free base

>  <URL> (1,717)
http://selleckchem.com/products/d-glucurone.html

>  <CAS Number> (1,717)
32449-92-6

$$$$
S4899 Sulfogaiacol.cdx
csChFnd80/10101813202D

 14 13  0  0  0  0  0  0  0  0999 V2000
    4.2034    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    2.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5102    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    1.3967    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1178    2.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136    0.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0034    1.3967    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178    3.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0220    3.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1563    1.3983    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,718)
4001

>  <Formula> (1,718)
C7H7KO5S

>  <MolWeight> (1,718)
242.29078

>  <Item Name> (1,718)
Sulfogaiacol

>  <Catalog Number> (1,718)
S4899

>  <Synonyms> (1,718)
guaiacolsulfonate

>  <Target> (1,718)
Others

>  <URL> (1,718)
http://selleckchem.com/products/sulfogaiacol.html

>  <CAS Number> (1,718)
1321-14-8

$$$$
S4977 Efonidipine.cdx
csChFnd80/10101813202D

 45 49  0  0  0  0  0  0  0  0999 V2000
   12.3119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,719)
4019

>  <Formula> (1,719)
C34H38N3O7P

>  <MolWeight> (1,719)
631.655181

>  <Item Name> (1,719)
Efonidipine

>  <Catalog Number> (1,719)
S4977

>  <Synonyms> (1,719)
NZ-105

>  <Target> (1,719)
Calcium Channel

>  <Form> (1,719)
free base

>  <URL> (1,719)
http://selleckchem.com/products/efonidipine.html

>  <CAS Number> (1,719)
111011-63-3

$$$$
S5018 Mebhydrolin napadisylate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,720)
4029

>  <Formula> (1,720)
C48H48N4O6S2

>  <MolWeight> (1,720)
841.04792

>  <Item Name> (1,720)
Mebhydrolin napadisylate

>  <Catalog Number> (1,720)
S5018

>  <Synonyms> (1,720)
Diazoline, Diazolin, Incidal, Omeril

>  <Target> (1,720)
Histamine Receptor

>  <Form> (1,720)
salt

>  <URL> (1,720)
http://selleckchem.com/products/mebhydrolin-napadisylate.html

>  <CAS Number> (1,720)
6153-33-9

$$$$
S4866 Nicarbazin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,721)
4034

>  <Formula> (1,721)
C19H18N6O6

>  <MolWeight> (1,721)
426.38282

>  <Item Name> (1,721)
Nicarbazin

>  <Catalog Number> (1,721)
S4866

>  <Synonyms> (1,721)
N/A

>  <Target> (1,721)
Anti-infection

>  <Form> (1,721)
salt

>  <URL> (1,721)
http://selleckchem.com/products/nicarbazin.html

>  <CAS Number> (1,721)
330-95-0

$$$$
S5016 Isoprinosine.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,722)
4040

>  <Formula> (1,722)
C52H78N10O17

>  <MolWeight> (1,722)
1115.23252

>  <Item Name> (1,722)
Isoprinosine

>  <Catalog Number> (1,722)
S5016

>  <Synonyms> (1,722)
inosine pranobex, Immunovir, Groprinosin, Delimmun

>  <Target> (1,722)
Anti-infection,Immunology & Inflammation rel

>  <Form> (1,722)
salt

>  <URL> (1,722)
http://selleckchem.com/products/isoprinosine.html

>  <CAS Number> (1,722)
36703-88-5

$$$$
S5029 Etofylline.cdx
csChFnd80/10101813202D

 16 17  0  0  0  0  0  0  0  0999 V2000
    3.6381    3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    2.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,723)
4042

>  <Formula> (1,723)
C9H12N4O3

>  <MolWeight> (1,723)
224.21658

>  <Item Name> (1,723)
Etofylline

>  <Catalog Number> (1,723)
S5029

>  <Synonyms> (1,723)
Aethophyllinum, Cordalin, Oxyphylline

>  <Target> (1,723)
Others

>  <URL> (1,723)
http://selleckchem.com/products/etofylline.html

>  <CAS Number> (1,723)
 519-37-9

$$$$
Sodium valproate.cdx
csChFnd80/10101813202D

 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
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  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,724)
4052

>  <Formula> (1,724)
C8H15NaO2

>  <MolWeight> (1,724)
166.19327

>  <Item Name> (1,724)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (1,724)
S1168

>  <Synonyms> (1,724)
N/A 

>  <Target> (1,724)
GABA Receptor, HDAC

>  <URL> (1,724)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (1,724)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S5051 Pipemidic acid.cdx
csChFnd80/10101813202D

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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,725)
4075

>  <Formula> (1,725)
C14H17N5O3

>  <MolWeight> (1,725)
303.31648

>  <Item Name> (1,725)
Pipemidic acid

>  <Catalog Number> (1,725)
S5051

>  <Synonyms> (1,725)
Acido pipemidico 

>  <Target> (1,725)
Anti-infection

>  <Form> (1,725)
free base

>  <URL> (1,725)
http://selleckchem.com/products/pipemidic-acid.html

>  <CAS Number> (1,725)
51940-44-4

$$$$
S5053 Imazalil.cdx
csChFnd80/10101813202D

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Enilconazole, chloramizole

>  <Target> (1,726)
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free base

>  <URL> (1,726)
http://selleckchem.com/products/imazalil.html

>  <CAS Number> (1,726)
35554-44-0

$$$$
S4890 Bifendate.cdx
csChFnd80/10101813202D

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>  <Formula> (1,727)
C20H18O10

>  <MolWeight> (1,727)
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>  <Item Name> (1,727)
Bifendate

>  <Catalog Number> (1,727)
S4890

>  <Synonyms> (1,727)
N/A

>  <Target> (1,727)
Reverse Transcriptase

>  <Form> (1,727)
free base

>  <URL> (1,727)
http://selleckchem.com/products/bifendate.html

>  <CAS Number> (1,727)
73536-69-3

$$$$
S4999 Avermectin B1.cdx
csChFnd80/10101813202D

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>  <Formula> (1,728)
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>  <MolWeight> (1,728)
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>  <Item Name> (1,728)
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>  <Catalog Number> (1,728)
S4999

>  <Synonyms> (1,728)
abamectin

>  <Target> (1,728)
Anti-infection

>  <URL> (1,728)
http://selleckchem.com/products/avermectin.html

>  <CAS Number> (1,728)
71751-41-2

$$$$
S5060 Metadoxine.cdx
csChFnd80/10101813202D

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  7  2  1  0  0  0  0
  6  3  2  0  0  0  0
  3  5  1  0  0  0  0
  9  4  1  0  0  0  0
  6  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 18 14  2  0  0  0  0
 20 14  1  0  0  0  0
 15 16  1  6  0  0  0
 19 15  1  0  0  0  0
 17 16  2  0  0  0  0
 21 16  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,729)
4083

>  <Formula> (1,729)
C13H18N2O6

>  <MolWeight> (1,729)
298.29182

>  <Item Name> (1,729)
 Metadoxine

>  <Catalog Number> (1,729)
S5060

>  <Synonyms> (1,729)
Metadoxil, Metasin, pyridoxine-pyrrolidone carboxylat

>  <Target> (1,729)
Others

>  <Form> (1,729)
salt

>  <URL> (1,729)
http://selleckchem.com/products/metadoxine.html

>  <CAS Number> (1,729)
74536-44-0

$$$$
S5229 Isosorbide dinitrate.cdx
csChFnd80/10101813202D

 18 19  0  0  0  0  0  0  0  0999 V2000
    4.1387    3.3835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1387    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4563    2.9667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7807    2.9445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    5.1851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4204    5.2121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2540    4.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8866    1.6224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293    4.0737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3237    6.5386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2758    1.3400    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.9492    6.8536    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7238    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1900    2.3573    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5711    8.2070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8496    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1433    1.9943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1073    6.1666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 17  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 18  1  6  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,730)
4090

>  <Formula> (1,730)
C6H8N2O8

>  <MolWeight> (1,730)
236.13632

>  <Item Name> (1,730)
Isosorbide dinitrate

>  <Catalog Number> (1,730)
S5229

>  <Synonyms> (1,730)
Sorbide nitrate, Sorbidnitrate, Isordil, Nitrosorbide

>  <Target> (1,730)
Others

>  <Form> (1,730)
free base

>  <URL> (1,730)
http://selleckchem.com/products/isosorbide-dinitrate.html

>  <CAS Number> (1,730)
87-33-2

$$$$
S5273 Canrenone.cdx
csChFnd80/10101813202D

 28 32  0  0  0  0  0  0  0  0999 V2000
    8.4670    4.5554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1590    4.2459    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3253    3.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7163    5.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4987    5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715    2.7853    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9789    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9569    5.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4299    2.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5682    6.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1535    6.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0284    2.1168    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7948    4.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5871    7.5609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8113    2.7975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0284    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    2.1622    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6559    0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4510    2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6188    3.5692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4758    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    2.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    0.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1715    1.5103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9789    3.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8318    1.4277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 26  1  6  0  0  0
  7 13  1  0  0  0  0
 10 14  2  0  0  0  0
 10 11  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  1  0  0  0
 13 15  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  6  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  1  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,731)
4094

>  <Formula> (1,731)
C22H28O3

>  <MolWeight> (1,731)
340.45592

>  <Item Name> (1,731)
Canrenone

>  <Catalog Number> (1,731)
S5273

>  <Synonyms> (1,731)
Aldadiene, SC-9376, RP-11614, 6,7-Dehydro-7¦Á-desthioacetylspironolactone

>  <Target> (1,731)
Others

>  <Form> (1,731)
free base

>  <URL> (1,731)
http://selleckchem.com/products/canrenone.html

>  <CAS Number> (1,731)
976-71-6

$$$$
S5282 Lactitol monohydrate.cdx
csChFnd80/10101813202D

 24 23  0  0  0  0  0  0  0  0999 V2000
   10.9118    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2780    0.4888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  1  0  0  0
 22 23  1  0  0  0  0
 13 21  1  0  0  0  0
 13  8  1  1  0  0  0
M  END
>  <Mol_ID> (1,732)
4097

>  <Formula> (1,732)
C12H26O12

>  <MolWeight> (1,732)
362.32764

>  <Item Name> (1,732)
Lactitol monohydrate

>  <Catalog Number> (1,732)
S5282

>  <Synonyms> (1,732)
N/A

>  <Target> (1,732)
Others

>  <Form> (1,732)
hydrate 

>  <URL> (1,732)
http://selleckchem.com/products/lactitol-monohydrate.html

>  <CAS Number> (1,732)
81025-04-9

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,733)
4099

>  <Formula> (1,733)
C10H16N5O8P

>  <MolWeight> (1,733)
365.236501

>  <Item Name> (1,733)
Adenosine 5'-monophosphate monohydrate

>  <Catalog Number> (1,733)
S5284

>  <Synonyms> (1,733)
5'-Adenylic acid, 5'-AMP

>  <Target> (1,733)
AMPK

>  <Form> (1,733)
hydrate 

>  <URL> (1,733)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

>  <CAS Number> (1,733)
18422-05-4

$$$$
S4995 Nicotinic acid N-oxide.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  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
M  END
>  <Mol_ID> (1,734)
4106

>  <Formula> (1,734)
C6H5NO3

>  <MolWeight> (1,734)
139.1088

>  <Item Name> (1,734)
Nicotinic acid N-oxide

>  <Catalog Number> (1,734)
S4995

>  <Synonyms> (1,734)
Oxiniacic acid, Nicotinic acid 1-oxide

>  <Target> (1,734)
Others

>  <Form> (1,734)
free base

>  <URL> (1,734)
http://selleckchem.com/products/nicotinic-acid-n-oxide.html

>  <CAS Number> (1,734)
2398-81-4

$$$$
S5484 Rimantadine Hydrochloride.cdx
csChFnd80/10101813202D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613    0.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2939    0.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663    1.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3568    1.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    3.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0832    2.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5832    2.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3020    4.4776    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5166    5.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0857    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7557    2.6664    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  3  7  1  0  0  0  0
  2  9  1  0  0  0  0
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  8  9  1  0  0  0  0
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  1  2  1  0  0  0  0
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  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,735)
4112

>  <Formula> (1,735)
C12H22ClN

>  <MolWeight> (1,735)
215.76278

>  <Item Name> (1,735)
Rimantadine Hydrochloride

>  <Catalog Number> (1,735)
S5484

>  <Synonyms> (1,735)
N/A

>  <Target> (1,735)
DNA/RNA Synthesis

>  <Form> (1,735)
hydrochloride 

>  <URL> (1,735)
http://selleckchem.com/products/rimantadine-hydrochloride.html

>  <CAS Number> (1,735)
1501-84-4

$$$$
S5215 Abacavir.cdx
csChFnd80/10101813202D

 21 24  0  0  0  0  0  0  0  0999 V2000
    3.8365    7.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313    6.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1696    8.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1612    5.9723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216    5.7174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6292    9.9144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170    7.8220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9883    7.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4106    6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4187   10.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    3.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    4.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6523   11.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5798    2.3738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
 10  5  1  1  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  2  0  0  0  0
 16 17  1  0  0  0  0
 18 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,736)
4114

>  <Formula> (1,736)
C14H18N6O

>  <MolWeight> (1,736)
286.33232

>  <Item Name> (1,736)
Abacavir

>  <Catalog Number> (1,736)
S5215

>  <Synonyms> (1,736)
N/A

>  <Target> (1,736)
Reverse Transcriptase

>  <Form> (1,736)
free base

>  <URL> (1,736)
http://selleckchem.com/products/abacavir.html

>  <CAS Number> (1,736)
136470-78-5

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10101813202D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,737)
4116

>  <Formula> (1,737)
C17H21N6O4P

>  <MolWeight> (1,737)
404.360201

>  <Item Name> (1,737)
Ruxolitinib Phosphate

>  <Catalog Number> (1,737)
S5243

>  <Synonyms> (1,737)
INCB018424, INC424

>  <Target> (1,737)
JAK

>  <Form> (1,737)
phosphate 

>  <URL> (1,737)
http://selleckchem.com/products/ruxolitinib-phosphate.html

>  <CAS Number> (1,737)
1092939-17-7

$$$$
S5253 Cisapride.cdx
csChFnd80/10101813202D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
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  5 10  2  0  0  0  0
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 12  7  1  1  0  0  0
  9 13  1  0  0  0  0
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 17 20  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 28  2  0  0  0  0
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 28 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,738)
4118

>  <Formula> (1,738)
C23H29ClFN3O4

>  <MolWeight> (1,738)
465.9454632

>  <Item Name> (1,738)
Cisapride

>  <Catalog Number> (1,738)
S5253

>  <Synonyms> (1,738)
Kaudalit, Kinestase, Prepulsid, Presid, Pridesia, Propulsid

>  <Target> (1,738)
5-HT Receptor

>  <URL> (1,738)
http://selleckchem.com/products/cisapride.html

>  <CAS Number> (1,738)
81098-60-4

$$$$
S5268 Solithromycin.cdx
csChFnd80/10101813202D

 60 64  0  0  0  0  0  0  0  0999 V2000
   18.2756    4.1164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.0689    3.4064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2756    5.5357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,739)
4121

>  <Formula> (1,739)
C43H65FN6O10

>  <MolWeight> (1,739)
845.0088032

>  <Item Name> (1,739)
Solithromycin

>  <Catalog Number> (1,739)
S5268

>  <Synonyms> (1,739)
CEM-101, OP-1068

>  <Target> (1,739)
Anti-infection

>  <Form> (1,739)
free base

>  <URL> (1,739)
http://selleckchem.com/products/solithromycin.html

>  <CAS Number> (1,739)
760981-83-7

$$$$
S5490 Disopyramide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,740)
4127

>  <Formula> (1,740)
C21H29N3O

>  <MolWeight> (1,740)
339.47446

>  <Item Name> (1,740)
Disopyramide

>  <Catalog Number> (1,740)
S5490

>  <Synonyms> (1,740)
N/A

>  <Target> (1,740)
Sodium Channel

>  <URL> (1,740)
http://selleckchem.com/products/disopyramide.html

>  <CAS Number> (1,740)
3737-09-5

$$$$
S5246 Entecavir.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,741)
4132

>  <Formula> (1,741)
C12H15N5O3

>  <MolWeight> (1,741)
277.2792

>  <Item Name> (1,741)
Entecavir

>  <Catalog Number> (1,741)
S5246

>  <Synonyms> (1,741)
N/A

>  <Target> (1,741)
Reverse Transcriptase

>  <Form> (1,741)
free base

>  <URL> (1,741)
http://selleckchem.com/products/entecavir.html

>  <CAS Number> (1,741)
142217-69-4

$$$$
S5250 Darunavir.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,742)
4133

>  <Formula> (1,742)
C27H37N3O7S

>  <MolWeight> (1,742)
547.66358

>  <Item Name> (1,742)
Darunavir

>  <Catalog Number> (1,742)
S5250

>  <Synonyms> (1,742)
TMC114

>  <Target> (1,742)
HIV Protease

>  <Form> (1,742)
free base

>  <URL> (1,742)
http://selleckchem.com/products/darunavir.html

>  <CAS Number> (1,742)
206361-99-1

$$$$
S5271 Suloctidil.cdx
csChFnd80/10101813202D

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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,743)
4135

>  <Formula> (1,743)
C20H35NOS

>  <MolWeight> (1,743)
337.563

>  <Item Name> (1,743)
Suloctidil

>  <Catalog Number> (1,743)
S5271

>  <Synonyms> (1,743)
N/A

>  <Target> (1,743)
Others

>  <Form> (1,743)
free base

>  <URL> (1,743)
http://selleckchem.com/products/suloctidil.html

>  <CAS Number> (1,743)
54767-75-8

$$$$
S5279 Fendiline hydrochloride.cdx
csChFnd80/10101813202D

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 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,744)
4136

>  <Formula> (1,744)
C23H26ClN

>  <MolWeight> (1,744)
351.91224

>  <Item Name> (1,744)
Fendiline hydrochloride

>  <Catalog Number> (1,744)
S5279

>  <Synonyms> (1,744)
N/A

>  <Target> (1,744)
Calcium Channel,Ras

>  <Form> (1,744)
hydrochloride 

>  <URL> (1,744)
http://selleckchem.com/products/fendiline-hydrochloride.html

>  <CAS Number> (1,744)
13636-18-5

$$$$
S5286 Ramatroban.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.9247    5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    4.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    6.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5926    3.9301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367    3.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7700    5.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0240    7.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3456    5.7692    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.3494    4.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3775    5.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8473    6.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4477    9.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8444    9.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5420   10.6207    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  6  0  0  0
  9 11  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
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 17 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
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 19 25  2  0  0  0  0
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 27 28  2  0  0  0  0
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M  END
>  <Mol_ID> (1,745)
4138

>  <Formula> (1,745)
C21H21FN2O4S

>  <MolWeight> (1,745)
416.4658432

>  <Item Name> (1,745)
Ramatroban

>  <Catalog Number> (1,745)
S5286

>  <Synonyms> (1,745)
BAY u 3405

>  <Target> (1,745)
Thrombin

>  <Form> (1,745)
free base

>  <URL> (1,745)
http://selleckchem.com/products/ramatroban.html

>  <CAS Number> (1,745)
116649-85-5

$$$$
S5291 Sulfisomidin.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    4.8305    5.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175    4.8997    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8316    6.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0300    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4045    4.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9185    6.1127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2417    5.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  2  0  0  0  0
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 16 19  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,746)
4141

>  <Formula> (1,746)
C12H14N4O2S

>  <MolWeight> (1,746)
278.33016

>  <Item Name> (1,746)
sulfaisodimidine

>  <Catalog Number> (1,746)
S5291

>  <Synonyms> (1,746)
sulfamethin, sulfaisodimidine

>  <Target> (1,746)
Anti-infection

>  <Form> (1,746)
free base

>  <URL> (1,746)
http://selleckchem.com/products/sulfaisodimidine.html

>  <CAS Number> (1,746)
515-64-0

$$$$
S5295 Lincomycin Hydrochloride Monohydrate.cdx
csChFnd80/10101813202D

 29 28  0  0  0  0  0  0  0  0999 V2000
    8.8806    4.2899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6526    4.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0885    4.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    2.9067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4498    4.2899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677    6.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2962    4.2650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0732    2.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6426    2.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2823    4.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8906    7.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5290    4.9465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0431    0.8018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  6  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  1  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  7 14  1  6  0  0  0
  8 15  1  1  0  0  0
  8 13  1  0  0  0  0
 16 10  1  6  0  0  0
 10 17  2  0  0  0  0
 13 18  1  6  0  0  0
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 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  1  0  0  0
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M  END
>  <Mol_ID> (1,747)
4145

>  <Formula> (1,747)
C18H37ClN2O7S

>  <MolWeight> (1,747)
461.01358

>  <Item Name> (1,747)
Lincomycin Hydrochloride Monohydrate

>  <Catalog Number> (1,747)
S5295

>  <Synonyms> (1,747)
N/A

>  <Target> (1,747)
Anti-infection

>  <Form> (1,747)
hydrochloride, hydrate

>  <URL> (1,747)
http://selleckchem.com/products/lincomycin-hydrochloride-monohydrate.html

>  <CAS Number> (1,747)
7179-49-9

$$$$
S5298 Amoxicillin trihydrate.cdx
csChFnd80/10101813202D

 29 28  0  0  0  0  0  0  0  0999 V2000
   17.2020    7.0925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1920    6.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7536    4.7729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5718    3.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6081    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6162    4.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439    2.5076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.4144    2.9461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1883    1.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0089    2.9576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0189    1.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6658    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6759    1.3523    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0382    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3236    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9612    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6090    3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6190    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2667    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9813    1.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3336    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3124    3.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4205    4.3461    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0258    4.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0359    5.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5626    6.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8611   19.6626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 15 21  2  0  0  0  0
 12 22  2  0  0  0  0
  3 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,748)
4148

>  <Formula> (1,748)
C16H25N3O8S

>  <MolWeight> (1,748)
419.45

>  <Item Name> (1,748)
Amoxicillin trihydrate

>  <Catalog Number> (1,748)
S5298

>  <Synonyms> (1,748)
Amoxil trihydrate, Amoxipen trihydrate, Moxaline trihydrate 

>  <Target> (1,748)
Anti-infection

>  <Form> (1,748)
trihydrate

>  <URL> (1,748)
http://selleckchem.com/products/amoxicillin-trihydrate.html

>  <CAS Number> (1,748)
61336-70-7

$$$$
S5447 Triprolidine hydrochloride monohydrate.cdx
csChFnd80/10101813202D

 23 23  0  0  0  0  0  0  0  0999 V2000
    3.6234    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    6.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359    6.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    3.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4118    7.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0481    5.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4102    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8394    2.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    8.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002    6.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    6.3065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    1.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    5.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4159    7.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    6.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7945    7.9866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0921    2.3496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9065    0.6818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,749)
4171

>  <Formula> (1,749)
C19H25ClN2O

>  <MolWeight> (1,749)
332.8676

>  <Item Name> (1,749)
Triprolidine Hydrochloride

>  <Catalog Number> (1,749)
S5447

>  <Synonyms> (1,749)
N/A

>  <Target> (1,749)
Histamine Receptor

>  <Form> (1,749)
hydrochloride, hydrate

>  <URL> (1,749)
http://selleckchem.com/products/triprolidine-hydrochloride.html

>  <CAS Number> (1,749)
6138-79-0

$$$$
S5479 Cloperastine hydrochloride.cdx
csChFnd80/10101813202D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.6526    2.8106    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8649    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    2.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    4.2099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    2.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    0.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411    0.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    7.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5117    0.0276    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2919    6.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0769    8.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    7.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3025    9.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    8.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5455    3.3321    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,750)
4173

>  <Formula> (1,750)
C20H25Cl2NO

>  <MolWeight> (1,750)
366.3246

>  <Item Name> (1,750)
Cloperastine hydrochloride

>  <Catalog Number> (1,750)
S5479

>  <Synonyms> (1,750)
HT-11 hydrochloride

>  <Target> (1,750)
Histamine Receptor

>  <Form> (1,750)
hydrochloride 

>  <URL> (1,750)
http://selleckchem.com/products/cloperastine-hydrochloride.html

>  <CAS Number> (1,750)
14984-68-0

$$$$
S5481 Molindone hydrochloride.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8866    4.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8866    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    4.6182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6416    4.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911    2.3598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6499    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0206    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6292    5.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    4.1805    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6416    6.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    2.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0137    6.1556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    4.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    6.2764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    6.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0184    8.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    8.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    9.0822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,751)
4174

>  <Formula> (1,751)
C16H25ClN2O2

>  <MolWeight> (1,751)
312.8349

>  <Item Name> (1,751)
Molindone hydrochloride

>  <Catalog Number> (1,751)
S5481

>  <Synonyms> (1,751)
N/A

>  <Target> (1,751)
Dopamine Receptor

>  <Form> (1,751)
hydrochloride 

>  <URL> (1,751)
http://selleckchem.com/products/molindone-hydrochloride.html

>  <CAS Number> (1,751)
 15622-65-8

$$$$
S5492 Econazole.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    3.7835    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4870    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    3.7835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4866    1.6835    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.5834    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,752)
4175

>  <Formula> (1,752)
C18H15Cl3N2O

>  <MolWeight> (1,752)
381.6835

>  <Item Name> (1,752)
Econazole

>  <Catalog Number> (1,752)
S5492

>  <Synonyms> (1,752)
N/A

>  <Target> (1,752)
Anti-infection

>  <Form> (1,752)
free base

>  <URL> (1,752)
http://selleckchem.com/products/econazole.html

>  <CAS Number> (1,752)
27220-47-9

$$$$
S5497 Iopanoic acid.cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1999    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  8 12  2  0  0  0  0
 10 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,753)
4176

>  <Formula> (1,753)
C11H12I3NO2

>  <MolWeight> (1,753)
570.93189

>  <Item Name> (1,753)
Iopanoic acid

>  <Catalog Number> (1,753)
S5497

>  <Synonyms> (1,753)
Acidum iopanoicum, Iodopanoic acid

>  <Target> (1,753)
Others

>  <Form> (1,753)
free base

>  <URL> (1,753)
http://selleckchem.com/products/iopanoic-acid.html

>  <CAS Number> (1,753)
96-83-3

$$$$
S5498 Betahistine mesylate.cdx
csChFnd80/10101813202D

 20 18  0  0  0  0  0  0  0  0999 V2000
    2.4443    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4443    7.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    5.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    5.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992    8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8505    6.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915    5.7981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1996    6.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0299    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6397    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0397    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4397    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,754)
4177

>  <Formula> (1,754)
C10H20N2O6S2

>  <MolWeight> (1,754)
328.4056

>  <Item Name> (1,754)
Betahistine mesylate

>  <Catalog Number> (1,754)
S5498

>  <Synonyms> (1,754)
N/A

>  <Target> (1,754)
Histamine Receptor

>  <Form> (1,754)
dimethanesulfonate 

>  <URL> (1,754)
http://selleckchem.com/products/betahistine-mesylate.html

>  <CAS Number> (1,754)
54856-23-4

$$$$
S3971 Fusidine.cdx
csChFnd80/10101813202D

 40 43  0  0  0  0  0  0  0  0999 V2000
    6.1524    3.5219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3766    4.2312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    4.2187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1524    2.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    5.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3766    5.6312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6948    3.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    2.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    3.5031    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9344    5.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9344    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1524    6.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4859    4.9468    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6977    2.0907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    4.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6977    6.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1594    7.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4988    1.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2683    3.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2553    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    7.6464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683    2.1093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    9.7243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4245    6.6031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9988    8.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1997    5.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9002    3.4782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7720   10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1989   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5487   12.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2822   13.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9784    2.7998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    7.0312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7103    0.6907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 39  1  6  0  0  0
  7 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  1  0  0  0
 10 18  1  6  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 19  2  0  0  0  0
 12 14  1  0  0  0  0
 14 20  1  1  0  0  0
 15 21  1  0  0  0  0
 15 40  1  6  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  6  0  0  0
 22 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 24 30  2  0  0  0  0
 25 31  1  0  0  0  0
 25 32  2  0  0  0  0
 26 33  1  6  0  0  0
 28 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (1,755)
4202

>  <Formula> (1,755)
C31H48O6

>  <MolWeight> (1,755)
516.70922

>  <Item Name> (1,755)
Fusidine

>  <Catalog Number> (1,755)
S3971

>  <Synonyms> (1,755)
Fusidic Acid

>  <Target> (1,755)
Anti-infection

>  <Form> (1,755)
free base

>  <URL> (1,755)
http://selleckchem.com/products/fusidine.html

>  <CAS Number> (1,755)
6990-06-3

$$$$
S3972 Lobeline  hydrochloride.cdx
csChFnd80/10101813202D

 26 27  0  0  0  0  0  0  0  0999 V2000
    8.4862    3.4827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2788    2.7837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862    4.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    3.4827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9008    3.4827    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2788    5.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.8519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1198    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9008    4.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3386    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1198    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6567    4.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5575    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3386    0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5575    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0709    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  1  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  6  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  2  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,756)
4203

>  <Formula> (1,756)
C22H28ClNO2

>  <MolWeight> (1,756)
373.91622

>  <Item Name> (1,756)
Lobeline hydrochloride

>  <Catalog Number> (1,756)
S3972

>  <Synonyms> (1,756)
N/A

>  <Target> (1,756)
AChR,Opioid Receptor

>  <Form> (1,756)
hydrochloride 

>  <URL> (1,756)
http://selleckchem.com/products/lobeline-hydrochloride.html

>  <CAS Number> (1,756)
134-63-4

$$$$
S4590 Dithranol.cdx
csChFnd80/10101813202D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.8038    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8038    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0192    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6171    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0192    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4053    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2091    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1899    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1925    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1899    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,757)
4204

>  <Formula> (1,757)
C14H10O3

>  <MolWeight> (1,757)
226.2274

>  <Item Name> (1,757)
Dithranol

>  <Catalog Number> (1,757)
S4590

>  <Synonyms> (1,757)
Anthralin; cignoline; 1,8,9-trihydroxyanthracene

>  <Target> (1,757)
Others

>  <Form> (1,757)
free base

>  <URL> (1,757)
http://selleckchem.com/products/dithranol.html

>  <CAS Number> (1,757)
1143-38-0

$$$$
S4833 Cefoxitin sodium.cdx
csChFnd80/10101813202D

 30 31  0  0  0  0  0  0  0  0999 V2000
    8.6520    4.7120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2522    4.7335    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6736    6.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0519    4.6904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6305    3.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2738    6.1334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    4.0523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6787    7.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    3.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4074    2.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2510    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2446    8.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,758)
4205

>  <Formula> (1,758)
C16H16N3NaO7S2

>  <MolWeight> (1,758)
449.43391

>  <Item Name> (1,758)
Cefoxitin sodium

>  <Catalog Number> (1,758)
S4833

>  <Synonyms> (1,758)
N/A

>  <Target> (1,758)
Anti-infection

>  <Form> (1,758)
sodium salt

>  <URL> (1,758)
http://selleckchem.com/products/cefoxitin-sodium.html

>  <CAS Number> (1,758)
33564-30-6

$$$$
S4853 Ecabet sodium.cdx
csChFnd80/10101813202D

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    3.6320    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2116    2.7894    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6320    2.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,759)
4209

>  <Formula> (1,759)
C20H27NaO5S

>  <MolWeight> (1,759)
402.48015

>  <Item Name> (1,759)
Ecabet sodium

>  <Catalog Number> (1,759)
S4853

>  <Synonyms> (1,759)
TA-2711, TA-2711E

>  <Target> (1,759)
Others

>  <Form> (1,759)
sodium salt 

>  <URL> (1,759)
http://selleckchem.com/products/ecabet-sodium.html

>  <CAS Number> (1,759)
86408-72-2

$$$$
S4992 Nanofin.cdx
csChFnd80/10101813202D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4309    2.7907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2239    2.0879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6379    2.0879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.4309    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,760)
4213

>  <Formula> (1,760)
C7H15N

>  <MolWeight> (1,760)
113.2007

>  <Item Name> (1,760)
Nanofin

>  <Catalog Number> (1,760)
S4992

>  <Synonyms> (1,760)
2,6-Dimethylpiperidine; Lupetidine; Naniopinum

>  <Target> (1,760)
AChR

>  <URL> (1,760)
http://selleckchem.com/products/nanofin.html

>  <CAS Number> (1,760)
504-03-0

$$$$
S5072 Rosuvastatin.cdx
csChFnd80/10101813202D

 33 34  0  0  0  0  0  0  0  0999 V2000
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    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,761)
4218

>  <Formula> (1,761)
C22H28FN3O6S

>  <MolWeight> (1,761)
481.5376232

>  <Item Name> (1,761)
Rosuvastatin

>  <Catalog Number> (1,761)
S5072

>  <Synonyms> (1,761)
N/A

>  <Target> (1,761)
HMG-CoA Reductase

>  <URL> (1,761)
http://selleckchem.com/products/rosuvastatin.html

>  <CAS Number> (1,761)
287714-41-4

$$$$
S5325 Nitisinone.cdx
csChFnd80/10101813202D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    3.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,762)
4225

>  <Formula> (1,762)
C14H10F3NO5

>  <MolWeight> (1,762)
329.2281096

>  <Item Name> (1,762)
Nitisinone

>  <Catalog Number> (1,762)
S5325

>  <Synonyms> (1,762)
N/A

>  <Target> (1,762)
Others

>  <Form> (1,762)
free base

>  <URL> (1,762)
http://selleckchem.com/products/nitisinone.html

>  <CAS Number> (1,762)
104206-65-7

$$$$
S5341 Metroprolol succinate.cdx
csChFnd80/10101813202D

 46 45  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,763)
4228

>  <Formula> (1,763)
C34H56N2O10

>  <MolWeight> (1,763)
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>  <Item Name> (1,763)
Metroprolol succinate

>  <Catalog Number> (1,763)
S5341

>  <Synonyms> (1,763)
Metoprolol succinate

>  <Target> (1,763)
Adrenergic Receptor

>  <Form> (1,763)
succinate

>  <URL> (1,763)
http://selleckchem.com/products/metroprolol-succinate.html

>  <CAS Number> (1,763)
98418-47-4

$$$$
S5248 Apatinib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,764)
4238

>  <Formula> (1,764)
C24H23N5O

>  <MolWeight> (1,764)
397.47232

>  <Item Name> (1,764)
Apatinib

>  <Catalog Number> (1,764)
S5248

>  <Synonyms> (1,764)
YN968D1

>  <Target> (1,764)
VEGFR,c-RET

>  <Form> (1,764)
free base

>  <URL> (1,764)
http://selleckchem.com/products/apatinib.html

>  <CAS Number> (1,764)
811803-05-1

$$$$
S5362 Citicholine.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,765)
4247

>  <Formula> (1,765)
C14H26N4O11P2

>  <MolWeight> (1,765)
488.323962

>  <Item Name> (1,765)
Citicholine

>  <Catalog Number> (1,765)
S5362

>  <Synonyms> (1,765)
CDP-choline, cytidine 5'-diphosphocholine

>  <Target> (1,765)
Others

>  <Form> (1,765)
inner salt

>  <URL> (1,765)
http://selleckchem.com/products/citicholine.html

>  <CAS Number> (1,765)
987-78-0

$$$$
S5363 Pikamilone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,766)
4248

>  <Formula> (1,766)
C10H12N2O3

>  <MolWeight> (1,766)
208.21388

>  <Item Name> (1,766)
Pikamilone

>  <Catalog Number> (1,766)
S5363

>  <Synonyms> (1,766)
N/A

>  <Target> (1,766)
Others

>  <Form> (1,766)
free base

>  <URL> (1,766)
http://selleckchem.com/products/pikamilone.html

>  <CAS Number> (1,766)
34562-97-5

$$$$
S5366 Fipronil.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,767)
4250

>  <Formula> (1,767)
C12H4Cl2F6N4OS

>  <MolWeight> (1,767)
437.1477792

>  <Item Name> (1,767)
Fipronil

>  <Catalog Number> (1,767)
S5366

>  <Synonyms> (1,767)
Fluocyanobenpyrazole, Termidor

>  <Target> (1,767)
Anti-infection

>  <Form> (1,767)
free base

>  <URL> (1,767)
http://selleckchem.com/products/fipronil.html

>  <CAS Number> (1,767)
120068-37-3

$$$$
Tegaserod maleate.cdx
csChFnd80/10101813202D

 30 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,768)
4265

>  <Formula> (1,768)
C20H27N5O5

>  <MolWeight> (1,768)
417.45888

>  <Item Name> (1,768)
Tegaserod Maleate

>  <Catalog Number> (1,768)
S5401

>  <Synonyms> (1,768)
N/A

>  <Target> (1,768)
5-HT Receptor

>  <Form> (1,768)
maleate

>  <URL> (1,768)
http://selleckchem.com/products/tegaserod-maleate.html

>  <CAS Number> (1,768)
189188-57-6

$$$$
S5428 Promazine Hydrochloride.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.6536    2.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,769)
4277

>  <Formula> (1,769)
C17H21ClN2S

>  <MolWeight> (1,769)
320.88004

>  <Item Name> (1,769)
Promazine hydrochloride

>  <Catalog Number> (1,769)
S5428

>  <Synonyms> (1,769)
Romtiazin hydrochloride, Sinophenin hydrochloride

>  <Target> (1,769)
Dopamine Receptor,5-HT Receptor

>  <Form> (1,769)
hydrochloride 

>  <URL> (1,769)
http://selleckchem.com/products/promazine-hydrochloride.html

>  <CAS Number> (1,769)
53-60-1

$$$$
S5452 Sanguinarine chloride.cdx
csChFnd80/10101813202D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,770)
4295

>  <Formula> (1,770)
C20H14ClNO4

>  <MolWeight> (1,770)
367.78246

>  <Item Name> (1,770)
Sanguinarine chloride

>  <Catalog Number> (1,770)
S5452

>  <Synonyms> (1,770)
N/A

>  <Target> (1,770)
phosphatase

>  <Form> (1,770)
chloride 

>  <URL> (1,770)
http://selleckchem.com/products/sanguinarine-chloride.html

>  <CAS Number> (1,770)
5578-73-4

$$$$
S5453 Hyperoside.cdx
csChFnd80/10101813202D

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 29 32  1  1  0  0  0
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M  END
>  <Mol_ID> (1,771)
4296

>  <Formula> (1,771)
C21H20O12

>  <MolWeight> (1,771)
464.3763

>  <Item Name> (1,771)
Hyperoside

>  <Catalog Number> (1,771)
S5453

>  <Synonyms> (1,771)
Hyperin, Quercetin 3-galactoside

>  <Target> (1,771)
Others

>  <Form> (1,771)
free base

>  <URL> (1,771)
http://selleckchem.com/products/hyperoside.html

>  <CAS Number> (1,771)
482-36-0

$$$$
S5480 Clidinium Bromide.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,772)
4315

>  <Formula> (1,772)
C22H26BrNO3

>  <MolWeight> (1,772)
432.35074

>  <Item Name> (1,772)
Clidinium Bromide

>  <Catalog Number> (1,772)
S5480

>  <Synonyms> (1,772)
N/A

>  <Target> (1,772)
AChR

>  <Form> (1,772)
bromide 

>  <URL> (1,772)
http://selleckchem.com/products/clidinium-bromide.html

>  <CAS Number> (1,772)
3485-62-9

$$$$
S5485 Desipramine Hydrochloride.cdx
csChFnd80/10101813202D

 21 22  0  0  0  0  0  0  0  0999 V2000
    3.9214    5.6000    0.0000 N   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> (1,773)
4316

>  <Formula> (1,773)
C18H23ClN2

>  <MolWeight> (1,773)
302.84162

>  <Item Name> (1,773)
Desipramine Hydrochloride

>  <Catalog Number> (1,773)
S5485

>  <Synonyms> (1,773)
Desmethylimipramine, Norimipramine, EX-4355, G-35020, JB-8181, NSC-114901

>  <Target> (1,773)
5-HT Receptor

>  <Form> (1,773)
hydrochloride 

>  <URL> (1,773)
http://selleckchem.com/products/desipramine-hydrochloride.html

>  <CAS Number> (1,773)
 58-28-6

$$$$
S5486 Fluorometholone.cdx
csChFnd80/10101813202D

 29 32  0  0  0  0  0  0  0  0999 V2000
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 12  4  2  0  0  0  0
 13  4  1  0  0  0  0
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 16  9  2  0  0  0  0
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M  END
>  <Mol_ID> (1,774)
4317

>  <Formula> (1,774)
C22H29FO4

>  <MolWeight> (1,774)
376.4616632

>  <Item Name> (1,774)
Fluorometholone

>  <Catalog Number> (1,774)
S5486

>  <Synonyms> (1,774)
Oxylone

>  <Target> (1,774)
Glucocorticoid Receptor

>  <Form> (1,774)
free base

>  <URL> (1,774)
http://selleckchem.com/products/fluorometholone.html

>  <CAS Number> (1,774)
426-13-1

$$$$
S5496 Guanethidine Monosulfate.cdx
csChFnd80/10101813202D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,775)
4318

>  <Formula> (1,775)
C10H24N4O4S

>  <MolWeight> (1,775)
296.38696

>  <Item Name> (1,775)
Guanethidine Monosulfate

>  <Catalog Number> (1,775)
S5496

>  <Synonyms> (1,775)
N/A

>  <Target> (1,775)
Others

>  <Form> (1,775)
sulfate 

>  <URL> (1,775)
http://selleckchem.com/products/guanethidine-monosulfate.html

>  <CAS Number> (1,775)
645-43-2

$$$$
S5506 Vortioxetine.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,776)
4319

>  <Formula> (1,776)
C18H22N2S

>  <MolWeight> (1,776)
298.44568

>  <Item Name> (1,776)
Vortioxetine

>  <Catalog Number> (1,776)
S5506

>  <Synonyms> (1,776)
N/A

>  <Target> (1,776)
5-HT Receptor

>  <Form> (1,776)
free base

>  <URL> (1,776)
http://selleckchem.com/products/vortioxetine.html

>  <CAS Number> (1,776)
508233-74-7

$$$$
S5541 Dimetridazole.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.4276    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    1.5129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5716    3.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.3968    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6471    2.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9568    0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    3.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0984    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0372    2.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <Mol_ID> (1,777)
4339

>  <Formula> (1,777)
C5H7N3O2

>  <MolWeight> (1,777)
141.12798

>  <Item Name> (1,777)
Dimetridazole

>  <Catalog Number> (1,777)
S5541

>  <Synonyms> (1,777)
N/A

>  <Target> (1,777)
Anti-infection

>  <Form> (1,777)
free base

>  <URL> (1,777)
http://selleckchem.com/products/dimetridazole.html

>  <CAS Number> (1,777)
551-92-8

$$$$
S5567 Trimethadione.cdx
csChFnd80/10101813202D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1742    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819    3.6240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1110    3.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7442    0.3264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  6  9  1  0  0  0  0
  6  8  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,778)
4355

>  <Formula> (1,778)
C6H9NO3

>  <MolWeight> (1,778)
143.14056

>  <Item Name> (1,778)
Trimethadione

>  <Catalog Number> (1,778)
S5567

>  <Synonyms> (1,778)
N/A

>  <Target> (1,778)
Others

>  <URL> (1,778)
http://selleckchem.com/products/trimethadione.html

>  <CAS Number> (1,778)
127-48-0

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813202D

 28 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.3521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.2521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    3.9521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    5.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.0521    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8455    3.2521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    1.1521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.9521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.9497    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7576    3.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6944    4.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9944    5.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6250    5.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    7.4472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    6.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    7.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6034    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,779)
4394

>  <Formula> (1,779)
C18H34Cl2N2O5S

>  <MolWeight> (1,779)
461.44396

>  <Item Name> (1,779)
Clindamycin HCl 

>  <Catalog Number> (1,779)
S2457

>  <Target> (1,779)
50S ribosomal 

>  <Form> (1,779)
hydrochloride

>  <URL> (1,779)
http://www.selleckchem.com/products/Clindamycin-

>  <CAS Number> (1,779)
21462-39-5 

$$$$
Clindamycin hydrochloride.cdx
csChFnd80/10101813202D

 45 45  0  0  0  0  0  0  0  0999 V2000
   20.5777    5.8771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.5777    4.4771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7902    3.7771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0026    4.4771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.0026    5.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    6.5771    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.7902    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0026    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2150    2.3771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.2150    3.7771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.4275    1.6771    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   26.6399    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6399    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4275    4.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8481    4.4747    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.1271    3.9052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.0639    4.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3639    6.1581    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9945    5.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    3.7795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.5747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    7.9722    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   29.9313    7.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5819    8.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4172    2.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3188    7.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8863    8.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7989    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8951    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 15  1  0  0  0  0
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 22 24  1  0  0  0  0
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 28 30  2  0  0  0  0
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 36 35  1  0  0  0  0
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 40 41  1  0  0  0  0
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 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
>  <Mol_ID> (1,780)
4395

>  <Formula> (1,780)
C34H64Cl2N2O6S

>  <MolWeight> (1,780)
699.85276

>  <Item Name> (1,780)
Clindamycin palmitate HCl

>  <Catalog Number> (1,780)
S2596

>  <Synonyms> (1,780)
N/A

>  <Target> (1,780)
Others

>  <Form> (1,780)
hydrochloride

>  <URL> (1,780)
http://selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (1,780)
25507-04-4 

$$$$
Isotretinoin.cdx
csChFnd80/10101813202D

 22 22  0  0  0  0  0  0  0  0999 V2000
   12.1461    0.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1457    2.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9294    2.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7080    2.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2845    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 15  2  0  0  0  0
 15 16  1  0  0  0  0
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 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,781)
4397

>  <Formula> (1,781)
C20H28O2

>  <MolWeight> (1,781)
300.43512

>  <Item Name> (1,781)
Isotretinoin 

>  <Catalog Number> (1,781)
S1379 

>  <Synonyms> (1,781)
13-cis retinoic acid

>  <Target> (1,781)
hydroxylase

>  <Form> (1,781)
free base

>  <URL> (1,781)
http://www.selleckchem.com/products/Isotretinoin.html

>  <CAS Number> (1,781)
4759-48-2

$$$$
Ulipristal acetate.cdx
csChFnd80/10101813202D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,782)
4398

>  <Formula> (1,782)
C30H37NO4

>  <MolWeight> (1,782)
475.61908

>  <Item Name> (1,782)
Ulipristal acetate

>  <Catalog Number> (1,782)
S3081

>  <Synonyms> (1,782)
CDB-2914

>  <Target> (1,782)
Estrogen/progestogen Receptor

>  <URL> (1,782)
http://selleckchem.com/products/ulipristal.html

>  <CAS Number> (1,782)
126784-99-4

$$$$
spiramycin.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,783)
4399

>  <Formula> (1,783)
C43H74N2O14

>  <MolWeight> (1,783)
843.05266

>  <Item Name> (1,783)
spiramycin

>  <Catalog Number> (1,783)
S4082

>  <Synonyms> (1,783)
Formacidine

>  <Target> (1,783)
Anti-infection

>  <URL> (1,783)
http://selleckchem.com/products/spiramycin.html

>  <CAS Number> (1,783)
8025-81-8

$$$$
S3966 Nifuratel.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,784)
4405

>  <Formula> (1,784)
C10H11N3O5S

>  <MolWeight> (1,784)
285.27644

>  <Item Name> (1,784)
Nifuratel

>  <Catalog Number> (1,784)
S3966

>  <Synonyms> (1,784)
N/A

>  <Target> (1,784)
Antibacterial

>  <Form> (1,784)
free base

>  <URL> (1,784)
http://selleckchem.com/products/.html

>  <CAS Number> (1,784)
4936-47-4

$$$$
S4998 2-Aminobenzenesulfonamide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,785)
4408

>  <Formula> (1,785)
C6H8N2O2S

>  <MolWeight> (1,785)
172.20492

>  <Item Name> (1,785)
2-Aminobenzenesulfonamide

>  <Catalog Number> (1,785)
S4998

>  <Synonyms> (1,785)
Orthanilamide

>  <Target> (1,785)
DHPS

>  <URL> (1,785)
http://selleckchem.com/products/.html

>  <CAS Number> (1,785)
3306-62-5

$$$$
S5102 Stachyose.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,786)
4410

>  <Formula> (1,786)
C24H50O25

>  <MolWeight> (1,786)
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>  <Item Name> (1,786)
Stachyose

>  <Catalog Number> (1,786)
S5102

>  <Synonyms> (1,786)
N/A

>  <Target> (1,786)
others

>  <Form> (1,786)
free base

>  <URL> (1,786)
http://selleckchem.com/products/.html

>  <CAS Number> (1,786)
10094-58-3

$$$$
S5267 Nylidrin Hydrochloride.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,787)
4418

>  <Formula> (1,787)
C19H26ClNO2

>  <MolWeight> (1,787)
335.86824

>  <Item Name> (1,787)
Nylidrin Hydrochloride

>  <Catalog Number> (1,787)
S5267

>  <Synonyms> (1,787)
Buphenine hydrochloride

>  <Target> (1,787)
¦Â-adrenergic receptor

>  <Form> (1,787)
hydrochloride 

>  <URL> (1,787)
http://selleckchem.com/products/.html

>  <CAS Number> (1,787)
849-55-8

$$$$
S5351 Cefmetazole sodium.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,788)
4421

>  <Formula> (1,788)
C15H16N7NaO5S3

>  <MolWeight> (1,788)
493.51621

>  <Item Name> (1,788)
Cefmetazole sodium

>  <Catalog Number> (1,788)
S5351

>  <Synonyms> (1,788)
Sodium cefmetazole

>  <Target> (1,788)
others

>  <Form> (1,788)
sodium salt

>  <URL> (1,788)
http://selleckchem.com/products/.html

>  <CAS Number> (1,788)
56796-39-5

$$$$
S5356 Ceftiofur.cdx
csChFnd80/10101813202D

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>  <Formula> (1,789)
C19H17N5O7S3

>  <MolWeight> (1,789)
523.56258

>  <Item Name> (1,789)
Ceftiofur

>  <Catalog Number> (1,789)
S5356

>  <Synonyms> (1,789)
N/A

>  <Target> (1,789)
Anti-infection

>  <Form> (1,789)
free base

>  <URL> (1,789)
http://selleckchem.com/products/ceftiofur.html

>  <CAS Number> (1,789)
80370-57-6 

$$$$
S5357 Safinamide.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,790)
4425

>  <Formula> (1,790)
C17H19FN2O2

>  <MolWeight> (1,790)
302.3433632

>  <Item Name> (1,790)
Safinamide

>  <Catalog Number> (1,790)
S5357

>  <Synonyms> (1,790)
EMD-1195686, PNU-15774E

>  <Target> (1,790)
MAO

>  <Form> (1,790)
free base

>  <URL> (1,790)
http://selleckchem.com/products/safinamide.html

>  <CAS Number> (1,790)
133865-89-1

$$$$
S5358 Regadenoson.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,791)
4426

>  <Formula> (1,791)
C15H18N8O5

>  <MolWeight> (1,791)
390.35402

>  <Item Name> (1,791)
Regadenoson

>  <Catalog Number> (1,791)
S5358

>  <Synonyms> (1,791)
CVT-3146, Lexiscan

>  <Target> (1,791)
Adenosine Receptor

>  <Form> (1,791)
free base

>  <URL> (1,791)
http://selleckchem.com/products/regadenoson.html

>  <CAS Number> (1,791)
313348-27-5  

$$$$
S5360 Diflorasone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,792)
4427

>  <Formula> (1,792)
C22H28F2O5

>  <MolWeight> (1,792)
410.4515264

>  <Item Name> (1,792)
Diflorasone

>  <Catalog Number> (1,792)
S5360

>  <Synonyms> (1,792)
N/A

>  <Target> (1,792)
Glucocorticoid receptor

>  <Form> (1,792)
free base

>  <URL> (1,792)
http://selleckchem.com/products/.html

>  <CAS Number> (1,792)
2557-49-5

$$$$
S5361 Bendazac.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,793)
4428

>  <Formula> (1,793)
C16H14N2O3

>  <MolWeight> (1,793)
282.29396

>  <Item Name> (1,793)
Bendazac

>  <Catalog Number> (1,793)
S5361

>  <Synonyms> (1,793)
bendazolic acid, AF-983

>  <Target> (1,793)
Immunology & Inflammation related

>  <Form> (1,793)
free base

>  <URL> (1,793)
http://selleckchem.com/products/bendazac.html

>  <CAS Number> (1,793)
20187-55-7

$$$$
S5369 Ethoxyquin.cdx
csChFnd80/10101813202D

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 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,794)
4429

>  <Formula> (1,794)
C14H19NO

>  <MolWeight> (1,794)
217.30676

>  <Item Name> (1,794)
Ethoxyquin

>  <Catalog Number> (1,794)
S5369

>  <Form> (1,794)
free base

>  <CAS Number> (1,794)
91-53-2

$$$$
S5466 Saikosaponin A.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,795)
4443

>  <Formula> (1,795)
C42H68O13

>  <MolWeight> (1,795)
780.98152

>  <Item Name> (1,795)
Saikosaponin A

>  <Catalog Number> (1,795)
S5466

>  <Synonyms> (1,795)
N/A

>  <Target> (1,795)
NF-¦ÊB

>  <Form> (1,795)
free base

>  <URL> (1,795)
http://selleckchem.com/products/.html

>  <CAS Number> (1,795)
20736-09-8

$$$$
S5482 Prilocaine hydrochloride.cdx
csChFnd80/10101813202D

 17 16  0  0  0  0  0  0  0  0999 V2000
    7.2773    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,796)
4444

>  <Formula> (1,796)
C13H21ClN2O

>  <MolWeight> (1,796)
256.77164

>  <Item Name> (1,796)
Prilocaine hydrochloride

>  <Catalog Number> (1,796)
S5482

>  <Synonyms> (1,796)
N/A

>  <Target> (1,796)
Sodium channel

>  <Form> (1,796)
hydrochloride 

>  <URL> (1,796)
http://selleckchem.com/products/.html

>  <CAS Number> (1,796)
1786-81-8

$$$$
S5493 Atropine sulfate.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,797)
4445

>  <Formula> (1,797)
C34H48N2O10S

>  <MolWeight> (1,797)
676.81732

>  <Item Name> (1,797)
Atropine sulfate

>  <Catalog Number> (1,797)
S5493

>  <Synonyms> (1,797)
Sulfatropinol

>  <Target> (1,797)
Muscarinic AChR

>  <Form> (1,797)
sulfate 

>  <URL> (1,797)
http://selleckchem.com/products/.html

>  <CAS Number> (1,797)
 55-48-1

$$$$
S5648 Iguratimod.cdx
csChFnd80/10101813202D

 27 29  0  0  0  0  0  0  0  0999 V2000
    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    5.0876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
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 19 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,798)
4448

>  <Formula> (1,798)
C17H14N2O6S

>  <MolWeight> (1,798)
374.36786

>  <Item Name> (1,798)
 Iguratimod

>  <Catalog Number> (1,798)
S5648

>  <Synonyms> (1,798)
T-614

>  <Target> (1,798)
Immunology & Inflammation related

>  <Form> (1,798)
free base

>  <URL> (1,798)
http://selleckchem.com/products/iguratimod.html

>  <CAS Number> (1,798)
123663-49-0

$$$$
S5651 Dexrazoxane.cdx
csChFnd80/10101813202D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.4220    2.8015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    2.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6310    4.8955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    4.8400    4.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8434    6.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    8.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8434    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2066    9.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0525    9.0956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
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  6 10  1  0  0  0  0
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  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
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  8 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,799)
4449

>  <Formula> (1,799)
C11H16N4O4

>  <MolWeight> (1,799)
268.26914

>  <Item Name> (1,799)
Dexrazoxane

>  <Catalog Number> (1,799)
S5651

>  <Synonyms> (1,799)
ICRF-187

>  <Target> (1,799)
Others

>  <Form> (1,799)
free base

>  <URL> (1,799)
http://selleckchem.com/products/dexrazoxane.html

>  <CAS Number> (1,799)
24584-09-6

$$$$
S4653 L-Ornithine hydrochloride.cdx
csChFnd80/10101813202D

 10  8  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.2047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9822    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,800)
4453

>  <Formula> (1,800)
C5H13ClN2O2

>  <MolWeight> (1,800)
168.62192

>  <Item Name> (1,800)
L-Ornithine hydrochloride

>  <Catalog Number> (1,800)
S4653

>  <Form> (1,800)
hydrochloride 

>  <CAS Number> (1,800)
3184-13-2

$$$$
S5494 Salbutamol.cdx
csChFnd80/10101813202D

 17 17  0  0  0  0  0  0  0  0999 V2000
    4.8477    2.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6351    2.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    2.7970    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8439    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    2.1065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737    2.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    4.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171    0.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2111    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856    2.7960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    0.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6983    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9107    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3982    3.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,801)
4454

>  <Formula> (1,801)
C13H21NO3

>  <MolWeight> (1,801)
239.31074

>  <Item Name> (1,801)
Salbutamol

>  <Catalog Number> (1,801)
S5494

>  <Synonyms> (1,801)
Albuterol; AH-3365

>  <Target> (1,801)
¦Â-adrenergic receptor

>  <Form> (1,801)
free base

>  <URL> (1,801)
http://selleckchem.com/products/.html

>  <CAS Number> (1,801)
18559-94-9

$$$$
S5501 Hydrocortisone acetate.cdx
csChFnd80/10101813202D

 32 35  0  0  0  0  0  0  0  0999 V2000
    7.3139    4.1415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3139    2.7574    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6501    4.5460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1057    4.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0897    2.0813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.4913    3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9187    4.2054    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9187    2.7893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0897    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6784    0.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699    2.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    3.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2563    2.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0667    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4330    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  1 31  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 32  1  6  0  0  0
  3 23  1  6  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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  5  9  1  0  0  0  0
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  6  7  1  0  0  0  0
  8 11  1  1  0  0  0
  8  9  1  0  0  0  0
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 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (1,802)
4456

>  <Formula> (1,802)
C23H32O6

>  <MolWeight> (1,802)
404.49658

>  <Item Name> (1,802)
Hydrocortisone acetate

>  <Catalog Number> (1,802)
S5501

>  <Synonyms> (1,802)
Hydrocortisone 21-acetate

>  <Target> (1,802)
Glucocorticoid receptor

>  <Form> (1,802)
free base

>  <URL> (1,802)
http://selleckchem.com/products/.html

>  <CAS Number> (1,802)
50-03-3

$$$$
S5537 Tizanidine.cdx
csChFnd80/10101813202D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5609    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5609    0.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8814    2.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    4.2284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    2.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3449    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926    0.2700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6922    1.4030    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1601    4.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9188    2.8356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0586    6.3418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976    4.4119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6970    6.6684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
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  3  8  2  0  0  0  0
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51322-75-9

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C32H31BrN2O2

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Bedaquiline

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S5623

>  <Synonyms> (1,807)
TMC207; R207910

>  <Target> (1,807)
tuberculosis

>  <Form> (1,807)
free base

>  <URL> (1,807)
http://selleckchem.com/products/.html

>  <CAS Number> (1,807)
843663-66-1

$$$$
S5626 Benzalkonium chloride.cdx
csChFnd80/10101813202D

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>  <Formula> (1,808)
C15H26ClNR

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>  <Item Name> (1,808)
Benzalkonium chloride

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S5626

>  <Synonyms> (1,808)
N/A

>  <Target> (1,808)
Immunology & Inflammation related

>  <Form> (1,808)
free base

>  <URL> (1,808)
http://selleckchem.com/products/.html

>  <CAS Number> (1,808)
63449-41-2

$$$$
S4698 Vitamin K1.cdx
csChFnd80/10101813202D

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>  <Formula> (1,809)
C31H46O2

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>  <Item Name> (1,809)
Vitamin K1

>  <Catalog Number> (1,809)
S4698

>  <Synonyms> (1,809)
N/A

>  <Target> (1,809)
Osteocalcin

>  <URL> (1,809)
http://selleckchem.com/products/.html

>  <CAS Number> (1,809)
84-80-0

$$$$
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csChFnd80/10101813202D

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C18H21N5O2

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>  <Item Name> (1,810)
Alogliptin£¨SYR-322£©

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S2868

>  <Synonyms> (1,810)
N/A

>  <Target> (1,810)
DPP-4

>  <Form> (1,810)
Free Base

>  <URL> (1,810)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (1,810)
850649-61-5

$$$$
Apremilast (CC-10004).cdx
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>  <Formula> (1,811)
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>  <MolWeight> (1,811)
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Apremilast (CC-10004)
Apremilast (CC-10004)

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N/A

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PDE

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>  <URL> (1,811)
http://www.selleckchem.com/products/apremilast-cc-10004.html

>  <CAS Number> (1,811)
608141-41-9

$$$$
Propranolol HCl.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,812)
4510

>  <Formula> (1,812)
C16H22ClNO2

>  <MolWeight> (1,812)
295.80438

>  <Item Name> (1,812)
Propranolol HCl

>  <Catalog Number> (1,812)
S4076

>  <Synonyms> (1,812)
N/A

>  <Target> (1,812)
Adrenergic Receptor

>  <Form> (1,812)
Hydrochloride

>  <URL> (1,812)
http://www.selleckchem.com/products/propranolol-hcl.html

>  <CAS Number> (1,812)
318-98-9

$$$$
Edoxaban.cdx
csChFnd80/10101813202D

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 46 48  2  0  0  0  0
 46 49  1  0  0  0  0
M  END
>  <Mol_ID> (1,813)
4512

>  <Formula> (1,813)
C31H40ClN7O8S2

>  <MolWeight> (1,813)
738.2744

>  <Item Name> (1,813)
Edoxaban

>  <Catalog Number> (1,813)
S7280

>  <Synonyms> (1,813)
DU-176b

>  <Target> (1,813)
Factor Xa

>  <Form> (1,813)
Tosylate hydrate

>  <URL> (1,813)
http://www.selleckchem.com/products/edoxaban.html

>  <CAS Number> (1,813)
1229194-11-9

$$$$
S4722 (+)-Catechin.cdx
csChFnd80/10101813202D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,814)
4513

>  <Formula> (1,814)
C15H14O6

>  <MolWeight> (1,814)
290.26806

>  <Item Name> (1,814)
(+)-Catechin

>  <Catalog Number> (1,814)
S4722

>  <Synonyms> (1,814)
Cianidanol, Catechinic acid, Catechuic acid

>  <Target> (1,814)
Others

>  <Form> (1,814)
Free Base

>  <URL> (1,814)
http://www.selleckchem.com/products/catechin.html

>  <CAS Number> (1,814)
154-23-4

$$$$
S5371 Ajmaline.cdx
csChFnd80/10101813202D

 29 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,815)
4916

>  <Formula> (1,815)
C20H26N2O2

>  <MolWeight> (1,815)
326.43264

>  <Item Name> (1,815)
Ajmaline

>  <Catalog Number> (1,815)
S5371

>  <Target> (1,815)
"Potassium Channel
Sodium Channel"

>  <Form> (1,815)
free base

>  <URL> (1,815)
http://selleckchem.com/products/.html

>  <CAS Number> (1,815)
4360-12-7

$$$$
S5385 Imidafenacin.cdx
csChFnd80/10101813202D

 24 26  0  0  0  0  0  0  0  0999 V2000
    1.7591    6.9469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902    3.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5833    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3222    4.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,816)
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>  <Formula> (1,816)
C20H21N3O

>  <MolWeight> (1,816)
319.40024

>  <Item Name> (1,816)
Imidafenacin

>  <Catalog Number> (1,816)
S5385

>  <Target> (1,816)
mAChR

>  <Form> (1,816)
free base

>  <URL> (1,816)
http://selleckchem.com/products/.html

>  <CAS Number> (1,816)
170105-16-5 

$$$$
S5531 Doripenem.cdx
csChFnd80/10101813202D

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M  END
>  <Mol_ID> (1,817)
4922

>  <Formula> (1,817)
C15H24N4O6S2

>  <MolWeight> (1,817)
420.50426

>  <Item Name> (1,817)
Doripenem

>  <Catalog Number> (1,817)
S5531

>  <Target> (1,817)
Bacterial

>  <Form> (1,817)
free base

>  <URL> (1,817)
http://selleckchem.com/products/.html

>  <CAS Number> (1,817)
148016-81-3

$$$$
S5581 Olmesartan.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,818)
4924

>  <Formula> (1,818)
C24H26N6O3

>  <MolWeight> (1,818)
446.50164

>  <Item Name> (1,818)
Olmesartan

>  <Catalog Number> (1,818)
S5581

>  <Target> (1,818)
Angiotensin Receptor

>  <Form> (1,818)
free base

>  <URL> (1,818)
http://selleckchem.com/products/.html

>  <CAS Number> (1,818)
144689-24-7

$$$$
S5278 Tedizolid.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,819)
4928

>  <Formula> (1,819)
C17H15FN6O3

>  <MolWeight> (1,819)
370.3378032

>  <Item Name> (1,819)
Tedizolid

>  <Catalog Number> (1,819)
S5278

>  <Target> (1,819)
Bacterial

>  <URL> (1,819)
http://selleckchem.com/products/.html

>  <CAS Number> (1,819)
856866-72-3

$$$$
S5535 Moxifloxacin.cdx
csChFnd80/10101813202D

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free base

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151096-09-2

$$$$
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csChFnd80/10101813202D

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Xylazine

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Adrenergic Receptor

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free base

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

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7361-61-7

$$$$
S5568 Tocofersolan.cdx
csChFnd80/10101813202D

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free base

>  <URL> (1,822)
http://selleckchem.com/products/.html

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9002-96-4

$$$$
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csChFnd80/10101813202D

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free base

>  <URL> (1,823)
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96-88-8 

$$$$
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csChFnd80/10101813202D

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free base

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

>  <CAS Number> (1,824)
98079-51-7

$$$$
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csChFnd80/10101813202D

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Olprinone

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>  <Target> (1,825)
Phosphodiesterase (PDE)

>  <Form> (1,825)
free base

>  <URL> (1,825)
http://selleckchem.com/products/.html

>  <CAS Number> (1,825)
106730-54-5

$$$$
S5700 Phthalylsulfathiazole.cdx
csChFnd80/10101813202D

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>  <Formula> (1,826)
C17H13N3O5S2

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Phthalylsulfathiazole

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S5700

>  <Target> (1,826)
Bacterial

>  <Form> (1,826)
free base

>  <URL> (1,826)
http://selleckchem.com/products/.html

>  <CAS Number> (1,826)
85-73-4

$$$$
S5288 Estropipate.cdx
csChFnd80/10101813202D

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>  <Formula> (1,827)
C22H32N2O5S

>  <MolWeight> (1,827)
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>  <Item Name> (1,827)
Estropipate

>  <Catalog Number> (1,827)
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>  <Target> (1,827)
Estrogen Receptor/ERR

>  <URL> (1,827)
http://selleckchem.com/products/.html

>  <CAS Number> (1,827)
7280-37-7

$$$$
S5395 Phenolphthalein.cdx
csChFnd80/10101813202D

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>  <Formula> (1,828)
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>  <MolWeight> (1,828)
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>  <Item Name> (1,828)
Phenolphthalein

>  <Catalog Number> (1,828)
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>  <Target> (1,828)
Fluorescent Dyes/Probes

>  <Form> (1,828)
free base

>  <URL> (1,828)
http://selleckchem.com/products/.html

>  <CAS Number> (1,828)
77-09-8

$$$$
S5397 Chlorhexidine.cdx
csChFnd80/10101813202D

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free base

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csChFnd80/10101813202D

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AR

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583-03-9 

$$$$
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csChFnd80/10101813202D

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Autophagy"

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free base

>  <URL> (1,831)
http://selleckchem.com/products/.html

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54-36-4

$$$$
S5450 Sofalcone.cdx
csChFnd80/10101813202D

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>  <Formula> (1,832)
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Sofalcone

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>  <Target> (1,832)
Autophagy

>  <Form> (1,832)
free base

>  <URL> (1,832)
http://selleckchem.com/products/.html

>  <CAS Number> (1,832)
64506-49-6

$$$$
S5488 Fluorescein.cdx
csChFnd80/10101813202D

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

>  <CAS Number> (1,833)
2321-07-5

$$$$
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csChFnd80/10101813202D

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free base

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144-80-9

$$$$
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csChFnd80/10101813202D

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Melatonin Receptor

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free base

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

>  <CAS Number> (1,842)
609799-22-6  

$$$$
S5067 Losartan.cdx
csChFnd80/10101813202D

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Angiotensin Receptor

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free base

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

>  <CAS Number> (1,843)
114798-26-4

$$$$
S5203 Sulbutiamine.cdx
csChFnd80/10101813202D

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>  <Formula> (1,844)
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>  <MolWeight> (1,844)
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>  <Item Name> (1,844)
Sulbutiamine

>  <Catalog Number> (1,844)
S5203

>  <Target> (1,844)
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>  <Form> (1,844)
free base

>  <URL> (1,844)
http://selleckchem.com/products/.html

>  <CAS Number> (1,844)
3286-46-2

$$$$
S5652 Elbasvir.cdx
csChFnd80/10101813202D

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MK8742

>  <Target> (1,845)
HCV Protease

>  <Form> (1,845)
free base

>  <URL> (1,845)
http://selleckchem.com/products/elbasvir.html

>  <CAS Number> (1,845)
1370468-36-2

$$$$
S5654 Indacaterol.cdx
csChFnd80/10101813202D

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Indacaterol

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>  <Synonyms> (1,846)
N/A

>  <Target> (1,846)
Adrenergic Receptor

>  <Form> (1,846)
free base

>  <URL> (1,846)
http://selleckchem.com/products/indacaterol.html

>  <CAS Number> (1,846)
312753-06-3

$$$$
S5655 Venlafaxine.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,847)
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>  <Formula> (1,847)
C17H27NO2

>  <MolWeight> (1,847)
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>  <Item Name> (1,847)
Venlafaxine

>  <Catalog Number> (1,847)
S5655

>  <Synonyms> (1,847)
Wy 45030

>  <Target> (1,847)
5-HT Receptor

>  <Form> (1,847)

free base

>  <URL> (1,847)
http://selleckchem.com/products/venlafaxine.html

>  <CAS Number> (1,847)
93413-69-5

$$$$
S5659 Emedastine.cdx
csChFnd80/10101813202D

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>  <Formula> (1,848)
C17H26N4O

>  <MolWeight> (1,848)
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>  <Item Name> (1,848)
Emedastine

>  <Catalog Number> (1,848)
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>  <Synonyms> (1,848)
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>  <Target> (1,848)
Histamine Receptor

>  <Form> (1,848)
free base

>  <URL> (1,848)
http://selleckchem.com/products/emedastine.html

>  <CAS Number> (1,848)
87233-61-2

$$$$
S5709 Norgestrel.cdx
csChFnd80/10101813202D

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>  <Formula> (1,849)
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CDK

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free base

>  <URL> (1,849)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (1,849)
6533-00-2 

$$$$
S5711 Deracoxib.cdx
csChFnd80/10101813202D

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M  END
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>  <Formula> (1,850)
C17H14F3N3O3S

>  <MolWeight> (1,850)
397.3715696

>  <Item Name> (1,850)
Deracoxib

>  <Catalog Number> (1,850)
S5711

>  <Synonyms> (1,850)
SC-046

>  <Target> (1,850)
COX

>  <Form> (1,850)
free base

>  <URL> (1,850)
http://selleckchem.com/products/deracoxib.html

>  <CAS Number> (1,850)
169590-41-4 

$$$$
S5714 lurasidone.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,851)
5118

>  <Formula> (1,851)
C28H36N4O2S

>  <MolWeight> (1,851)
492.67604

>  <Item Name> (1,851)
lurasidone

>  <Catalog Number> (1,851)
S5714

>  <Synonyms> (1,851)
SM-13496

>  <Target> (1,851)
Dopamine Receptor,5-HT Receptor

>  <Form> (1,851)
free base

>  <URL> (1,851)
http://selleckchem.com/products/lurasidone.html

>  <CAS Number> (1,851)
367514-87-2

$$$$
S5716 Abemaciclib.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,852)
5119

>  <Formula> (1,852)
C27H32F2N8

>  <MolWeight> (1,852)
506.5933864

>  <Item Name> (1,852)
Abemaciclib

>  <Catalog Number> (1,852)
S5716

>  <Synonyms> (1,852)
LY2835219

>  <Target> (1,852)
CDK

>  <Form> (1,852)
free base

>  <URL> (1,852)
http://selleckchem.com/products/abemaciclib.html

>  <CAS Number> (1,852)
1231929-97-7 

$$$$
S5717 Acetohexamide.cdx
csChFnd80/10101813202D

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>  <Mol_ID> (1,853)
5120

>  <Formula> (1,853)
C15H20N2O4S

>  <MolWeight> (1,853)
324.3953

>  <Item Name> (1,853)
Acetohexamide

>  <Catalog Number> (1,853)
S5717

>  <Synonyms> (1,853)
N/A

>  <Target> (1,853)
Others

>  <Form> (1,853)
free base

>  <URL> (1,853)
http://selleckchem.com/products/acetohexamide.html

>  <CAS Number> (1,853)
968-81-0

$$$$
