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>  <Mol_ID> (1)
3

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C21H18FN5O

>  <MolWeight> (1)
375.3989232

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Linifanib (ABT-869)

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S1003

>  <Synonyms> (1)
AL-39324

>  <Target> (1)
PDGFR, VEGFR

>  <Form> (1)
Free Base

>  <URL> (1)
http://www.selleckchem.com/products/ABT-869.html

>  <CAS Number> (1)
796967-16-3

$$$$
ABT-888(Veliparib).cdx
csChFnd80/07171813022D

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4

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C13H16N4O

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ABT-888 (Veliparib)

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S1004

>  <Synonyms> (2)
N/A 

>  <Target> (2)
PARP 

>  <Form> (2)
Free Base

>  <URL> (2)
http://www.selleckchem.com/products/ABT-888.html

>  <CAS Number> (2)
912444-00-9

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (3)
5

>  <Formula> (3)
C22H18N4OS

>  <MolWeight> (3)
386.46952

>  <Item Name> (3)
Axitinib

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S1005

>  <Synonyms> (3)
AG 013736

>  <Target> (3)
VEGFR, PDGFR, c-Kit

>  <Form> (3)
Free Base

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

>  <CAS Number> (3)
319460-85-0

$$$$
untitled.cdx
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>  <Mol_ID> (4)
6

>  <Formula> (4)
C27H32ClN5O5

>  <MolWeight> (4)
542.02648

>  <Item Name> (4)
Saracatinib (AZD0530)

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S1006

>  <Synonyms> (4)
N/A 

>  <Target> (4)
Src, Bcr-Abl

>  <Form> (4)
Free Base

>  <URL> (4)
http://www.selleckchem.com/products/AZD0530.html

>  <CAS Number> (4)
379231-04-6

$$$$
azd6244.cdx
csChFnd80/07171813022D

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ARRY-142886 

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MEK

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Free Base

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http://www.selleckchem.com/products/AZD6244.html

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606143-52-6

$$$$
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Nintedanib (BIBF 1120)

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S1010

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N/A 

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VEGFR, PDGFR, FGFR

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Free Base

>  <URL> (6)
http://www.selleckchem.com/products/BIBF1120.html

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656247-17-5

$$$$
untitled.cdx
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>  <Mol_ID> (7)
10

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384.2372

>  <Item Name> (7)
Bortezomib (Velcade)

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S1013

>  <Synonyms> (7)
MG-341, PS-341

>  <Target> (7)
Proteasome

>  <Form> (7)
Free Base

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

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

$$$$
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>  <Mol_ID> (8)
11

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>  <Synonyms> (8)
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>  <Target> (8)
Src

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Free Base

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

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

$$$$
untitled.cdx
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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

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Dasatinib

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S1021

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BMS-354825

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Src, Bcr-Abl, c-Kit

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Free Base

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

>  <CAS Number> (10)
302962-49-8

$$$$

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Dovitinib (TKI-258, CHIR-258)

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c-Kit, FGFR, Flt, VEGFR, PDGFR 

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>  <URL> (11)
http://www.selleckchem.com/products/CHIR-258.html

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405169-16-6

$$$$
untitled.cdx
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N/A

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EGFR

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184475-35-2

$$$$
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>  <Mol_ID> (13)
20

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C30H35N7O4S

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Imatinib Mesylate (STI571)

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>  <Synonyms> (13)
CGP-57148B, ST-1571 Mesylate

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

>  <Form> (13)
Mesylate

>  <URL> (13)
http://www.selleckchem.com/products/Imatinib-Mesylate.html

>  <CAS Number> (13)
220127-57-1

$$$$
Lapatinib Ditosylate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (14)
21

>  <Formula> (14)
C43H42ClFN4O10S3

>  <MolWeight> (14)
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>  <Item Name> (14)
Lapatinib (GW-572016) Ditosylate

>  <Catalog Number> (14)
S1028

>  <Synonyms> (14)
GW-57201

>  <Target> (14)
EGFR, HER2

>  <Form> (14)
Ditosylat

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

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

$$$$
untitled.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (15)
22

>  <Formula> (15)
C13H13N3O3

>  <MolWeight> (15)
259.26062

>  <Item Name> (15)
Lenalidomide (CC-5013)

>  <Catalog Number> (15)
S1029

>  <Synonyms> (15)
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

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (16)
25

>  <Formula> (16)
C28H22F3N7O

>  <MolWeight> (16)
529.5157896

>  <Item Name> (16)
Nilotinib (AMN-107)

>  <Catalog Number> (16)
S1033

>  <Synonyms> (16)
Tasigna 

>  <Target> (16)
Bcr-Abl

>  <Form> (16)
Free Base

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

>  <CAS Number> (16)
641571-10-0

$$$$
untitled.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (17)
26

>  <Formula> (17)
C21H24ClN7O2S

>  <MolWeight> (17)
473.97896

>  <Item Name> (17)
Pazopanib HCl

>  <Catalog Number> (17)
S1035

>  <Synonyms> (17)
GW786034

>  <Target> (17)
VEGFR, PDGFR, c-Kit

>  <Form> (17)
Hydrochloride

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

>  <CAS Number> (17)
635702-64-6

$$$$
Dimesna.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (18)
28

>  <Formula> (18)
C4H8Na2O6S4

>  <MolWeight> (18)
326.34226

>  <Item Name> (18)
Dimesna

>  <Catalog Number> (18)
S1201 

>  <Synonyms> (18)
BNP7787, Tavocept, BioNumerik

>  <Target> (18)
Others

>  <Form> (18)
Disodium salt

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

>  <CAS Number> (18)
16208-51-8

$$$$
RAPAMYCIN.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (19)
32

>  <Formula> (19)
C51H79NO13

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>  <Item Name> (19)
Rapamycin (Sirolimus)

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S1039

>  <Synonyms> (19)
N/A 

>  <Target> (19)
mTOR 

>  <Form> (19)
Free Base

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

>  <CAS Number> (19)
53123-88-9

$$$$

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>  <Mol_ID> (20)
33

>  <Formula> (20)
C28H24ClF3N4O6S

>  <MolWeight> (20)
637.0265696

>  <Item Name> (20)
Sorafenib Tosylate

>  <Catalog Number> (20)
S1040

>  <Synonyms> (20)
Bay 43-9006 

>  <Target> (20)
VEGFR, PDGFR, Raf

>  <Form> (20)
Tosylate

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

>  <CAS Number> (20)
475207-59-1

$$$$

csChFnd80/07171813022D

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>  <Mol_ID> (21)
35

>  <Formula> (21)
C26H33FN4O7

>  <MolWeight> (21)
532.5612232

>  <Item Name> (21)
Sunitinib Malate

>  <Catalog Number> (21)
S1042

>  <Synonyms> (21)
N/A

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

>  <Form> (21)
Malate

>  <URL> (21)
http://www.selleckchem.com/products/Sunitinib-Malate-(Sutent).html

>  <CAS Number> (21)
341031-54-7

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (22)
38

>  <Formula> (22)
C22H24BrFN4O2

>  <MolWeight> (22)
475.3539632

>  <Item Name> (22)
Vandetanib (ZD6474)

>  <Catalog Number> (22)
S1046

>  <Synonyms> (22)
N/A

>  <Target> (22)
VEGFR

>  <Form> (22)
Free Base

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

>  <CAS Number> (22)
443913-73-3

$$$$
vorinostat.cdx
csChFnd80/07171813022D

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SAHA, MK0683, suberoylanilide hydroxamic acid

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HDAC

>  <Form> (23)
Free Base

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

>  <CAS Number> (23)
149647-78-9

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VX-680 (MK-0457, Tozasertib)

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S1048

>  <Synonyms> (24)
N/A 

>  <Target> (24)
Aurora Kinase

>  <Form> (24)
Free Base

>  <URL> (24)
http://www.selleckchem.com/products/VX-680(MK-0457).html

>  <CAS Number> (24)
639089-54-6

$$$$
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43

>  <Formula> (25)
C21H20N4O3

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>  <Item Name> (25)
Entinostat (MS-275, SNDX-275)

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S1053

>  <Synonyms> (25)
SNDX-275

>  <Target> (25)
HDAC 

>  <Form> (25)
Free Base

>  <URL> (25)
http://www.selleckchem.com/products/MS-275.html

>  <CAS Number> (25)
209783-80-2

$$$$
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>  <Mol_ID> (26)
44

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>  <Item Name> (26)
Enzastaurin (LY317615)

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N/A 

>  <Target> (26)
PKC 

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Free Base

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

>  <CAS Number> (26)
170364-57-5

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M  END
>  <Mol_ID> (27)
46

>  <Formula> (27)
C24H23FN4O3

>  <MolWeight> (27)
434.4628232

>  <Item Name> (27)
Olaparib (AZD2281, Ku-0059436)

>  <Catalog Number> (27)
S1060

>  <Synonyms> (27)
KU-0059436 

>  <Target> (27)
PARP 

>  <Form> (27)
Free Base

>  <URL> (27)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

>  <CAS Number> (27)
763113-22-0

$$$$
untitled.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (28)
48

>  <Formula> (28)
C28H30N6OS

>  <MolWeight> (28)
498.6424

>  <Item Name> (28)
Masitinib (AB1010)

>  <Catalog Number> (28)
S1064

>  <Synonyms> (28)
N/A 

>  <Target> (28)
c-Kit, PDGFR, FGFR, FAK

>  <Form> (28)
Free Base

>  <URL> (28)
http://www.selleckchem.com/products/Masitinib-(AB1010).html

>  <CAS Number> (28)
790299-79-5

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (29)
49

>  <Formula> (29)
C23H27N7O3S2

>  <MolWeight> (29)
513.63558

>  <Item Name> (29)
Pictilisib (GDC-0941)

>  <Catalog Number> (29)
S1065

>  <Synonyms> (29)
RG7321

>  <Target> (29)
PI3K 

>  <Form> (29)
Free Base

>  <URL> (29)
http://www.selleckchem.com/products/GDC-0941.html

>  <CAS Number> (29)
957054-30-7

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (30)
59

>  <Formula> (30)
C19H14Cl2N2O3S

>  <MolWeight> (30)
421.29706

>  <Item Name> (30)
Vismodegib (GDC-0449)

>  <Catalog Number> (30)
S1082

>  <Synonyms> (30)
N/A 

>  <Target> (30)
Hedgehog, P-gp

>  <Form> (30)
Free Base

>  <URL> (30)
http://www.selleckchem.com/products/GDC-0449.html

>  <CAS Number> (30)
879085-55-9

$$$$
untitled.cdx
csChFnd80/07171813022D

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PARP 

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160003-66-7

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CRA-024781

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HDAC 

>  <Form> (33)
Free Base

>  <URL> (33)
http://www.selleckchem.com/products/PCI-24781.html

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783355-60-2

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69

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C19H21FN3O5P

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Rucaparib (AG-014699,PF-01367338) phosphate

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S1098

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AG-014447 

>  <Target> (34)
PARP 

>  <Form> (34)
Phosphate

>  <URL> (34)
http://www.selleckchem.com/products/AG-014699.html

>  <CAS Number> (34)
459868-92-9

$$$$
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>  <Mol_ID> (35)
71

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ZK 222584 (cpg-79787) 2HCl

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VEGFR, c-Kit, Flt

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Dihydrochloride

>  <URL> (35)
http://www.selleckchem.com/products/Vatalanib,Dihydrochloride-Salt.html

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212141-51-0

$$$$
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>  <Mol_ID> (36)
83

>  <Formula> (36)
C34H34F2N4O6

>  <MolWeight> (36)
632.6537664

>  <Item Name> (36)
Foretinib (GSK1363089, XL880)

>  <Catalog Number> (36)
S1111

>  <Synonyms> (36)
N/A 

>  <Target> (36)
c-Met, VEGFR

>  <Form> (36)
Free Base

>  <URL> (36)
http://www.selleckchem.com/products/XL880(GSK1363089,EXEL-2880).html

>  <CAS Number> (36)
849217-64-7

$$$$
Everolimus.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (37)
87

>  <Formula> (37)
C53H83NO14

>  <MolWeight> (37)
958.22442

>  <Item Name> (37)
Everolimus (RAD001)

>  <Catalog Number> (37)
S1120

>  <Synonyms> (37)
Certican, Zortress, Afinitor

>  <Target> (37)
mTOR

>  <Form> (37)
Free Base

>  <URL> (37)
http://www.selleckchem.com/products/Everolimus(RAD001).html

>  <CAS Number> (37)
159351-69-6

$$$$
726169-73-9.cdx
csChFnd80/07171813022D

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N/A 

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HDAC 

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Free Base

>  <URL> (38)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

>  <CAS Number> (38)
726169-73-9

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(CP358774, NSC 718781) HCl

>  <Target> (39)
EGFR

>  <Form> (39)
Hydrochloride

>  <URL> (39)
http://www.selleckchem.com/products/Erlotinib-Hydrochloride.

>  <CAS Number> (39)
183319-69-9

$$$$
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>  <Mol_ID> (40)
94

>  <Formula> (40)
C27H20ClFN4O4

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>  <Item Name> (40)
MLN8237 (Alisertib)

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S1133

>  <Synonyms> (40)
Alisertib

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <URL> (40)
http://www.selleckchem.com/products/MLN8237.html

>  <CAS Number> (40)
1028486-01-2

$$$$
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>  <Mol_ID> (41)
95

>  <Formula> (41)
C28H24FN3O5

>  <MolWeight> (41)
501.5056632

>  <Item Name> (41)
Cabozantinib (XL184, BMS-907351)

>  <Catalog Number> (41)
S1119

>  <Synonyms> (41)
N/A

>  <Target> (41)
VEGFR, c-Met, Flt, Tie-2, c-Kit

>  <Form> (41)
Free Base

>  <URL> (41)
http://www.selleckchem.com/products/XL184.html

>  <CAS Number> (41)
849217-68-1

$$$$

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97

>  <Formula> (42)
C20H19N5Na2O6

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>  <Item Name> (42)
Pemetrexed

>  <Catalog Number> (42)
S1135

>  <Synonyms> (42)
LY-231514

>  <Target> (42)
DHFR, DNA/RNA Synthesis

>  <Form> (42)
Disodium salt

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

>  <CAS Number> (42)
150399-23-8

$$$$
Malotilate.cdx
csChFnd80/07171813022D

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C12H16O4S2

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Malotilate

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S1137

>  <Synonyms> (43)
N/A

>  <Target> (43)
Others

>  <Form> (43)
Free Base

>  <URL> (43)
http://www.selleckchem.com/products/Malotilate.html

>  <CAS Number> (43)
59937-28-9 

$$$$
untitled.cdx
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100

>  <Formula> (44)
C31H43N3O8

>  <MolWeight> (44)
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>  <Item Name> (44)
17-AAG (Tanespimycin)

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S1141

>  <Synonyms> (44)
N/A 

>  <Target> (44)
HSP

>  <Form> (44)
Free Base

>  <URL> (44)
http://www.selleckchem.com/products/17-AAG(Geldanamycin).html

>  <CAS Number> (44)
75747-14-7

$$$$
VX770.cdx
csChFnd80/07171813022D

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S1144

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N/A

>  <Target> (45)
CFTR

>  <Form> (45)
Free Base

>  <URL> (45)
http://www.selleckchem.com/products/VX-770.html

>  <CAS Number> (45)
873054-44-5

$$$$
untitled.cdx
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AZD1152 

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Aurora Kinase

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Free Base

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

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722544-51-6

$$$$
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>  <Mol_ID> (47)
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Docetaxel (Taxotere)

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N/A 

>  <Target> (47)
Microtubule Associated

>  <Form> (47)
Free Base

>  <URL> (47)
http://www.selleckchem.com/products/Docetaxel(Taxotere).html

>  <CAS Number> (47)
114977-28-5

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (48)
109

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Gemcitabine HCl (Gemzar)

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Gemzar

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DNA/RNA Synthesis

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>  <URL> (48)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

>  <CAS Number> (48)
122111-03-9

$$$$
Paclitaxel.cdx
csChFnd80/07171813022D

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CDK 

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186692-46-6 

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Captabin 

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DNA/RNA Synthesis

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Free Base

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http://www.selleckchem.com/products/Capecitabine(Xeloda).html

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154361-50-9

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BAY 73-4506

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c-Kit, Raf, VEGFR

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755037-03-7

$$$$
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>  <Mol_ID> (53)
132

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Ritonavir

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S1185

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Norvir, Norvir Softgel

>  <Target> (53)
HIV Protease

>  <Form> (53)
Free Base

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

>  <CAS Number> (53)
155213-67-5

$$$$
Anastrozole.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (54)
136

>  <Formula> (54)
C17H19N5

>  <MolWeight> (54)
293.36626

>  <Item Name> (54)
Anastrozole

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S1188

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Arimidex 

>  <Target> (54)
Aromatase

>  <Form> (54)
Free Base

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

>  <CAS Number> (54)
120511-73-1

$$$$
Aprepitant.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (55)
137

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C23H21F7N4O3

>  <MolWeight> (55)
534.4266624

>  <Item Name> (55)
Aprepitant (MK-0869)

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S1189

>  <Synonyms> (55)
MK-0869, MK-869, L-754030, Emend 

>  <Target> (55)
Substance P

>  <Form> (55)
Free Base

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

>  <CAS Number> (55)
170729-80-3

$$$$
bicalutamide.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (56)
138

>  <Formula> (56)
C18H14F4N2O4S

>  <MolWeight> (56)
430.3733728

>  <Item Name> (56)
Bicalutamide (Casodex)

>  <Catalog Number> (56)
S1190

>  <Synonyms> (56)
N/A 

>  <Target> (56)
Androgen Receptor, P450

>  <Form> (56)
Free Base

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

>  <CAS Number> (56)
90357-06-5

$$$$
Fulvestrant.cdx
csChFnd80/07171813022D

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Estrogen/progestogen Receptor

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Free Base

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

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129453-61-8

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DNA/RNA Synthesis

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Free Base

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

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112887-68-0

$$$$
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HDAC, EGFR, HER2

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http://www.selleckchem.com/products/CUDC-101.html

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1012054-59-9

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Aromatase

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107868-30-4

$$$$
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 12  9  1  6  0  0  0
M  END
>  <Mol_ID> (61)
144

>  <Formula> (61)
C10H12ClN5O3

>  <MolWeight> (61)
285.68698

>  <Item Name> (61)
Cladribine

>  <Catalog Number> (61)
S1199

>  <Synonyms> (61)
Leustatin

>  <Target> (61)
DNA/RNA Synthesis

>  <Form> (61)
Free Base

>  <URL> (61)
http://www.selleckchem.com/products/Cladribine.html

>  <CAS Number> (61)
4291-63-8

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/07171813022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (62)
145

>  <Formula> (62)
C8H12N4O4

>  <MolWeight> (62)
228.20528

>  <Item Name> (62)
Decitabine

>  <Catalog Number> (62)
S1200

>  <Synonyms> (62)
Dacogen

>  <Target> (62)
DNA/RNA Synthesis

>  <Form> (62)
Free Base

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

>  <CAS Number> (62)
2353-33-5

$$$$
Dutasteride.cdx
csChFnd80/07171813022D

 41 45  0  0  0  0  0  0  0  0999 V2000
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 17 12  1  0  0  0  0
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 28 31  1  0  0  0  0
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M  END
>  <Mol_ID> (63)
146

>  <Formula> (63)
C27H30F6N2O2

>  <MolWeight> (63)
528.5297192

>  <Item Name> (63)
Dutasteride

>  <Catalog Number> (63)
S1202

>  <Synonyms> (63)
Avodart

>  <Target> (63)
5-alpha Reductase

>  <Form> (63)
Free Base

>  <URL> (63)
http://www.selleckchem.com/products/Dutasteride.html

>  <CAS Number> (63)
164656-23-9

$$$$
AV-951.cdx
csChFnd80/07171813022D

 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
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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
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M  END
>  <Mol_ID> (64)
148

>  <Formula> (64)
C22H19ClN4O5

>  <MolWeight> (64)
454.86306

>  <Item Name> (64)
Tivozanib (AV-951)

>  <Catalog Number> (64)
S1207

>  <Synonyms> (64)
N/A 

>  <Target> (64)
VEGFR, c-Kit, PDGFR

>  <Form> (64)
Free Base

>  <URL> (64)
http://www.selleckchem.com/products/AV-951.html

>  <CAS Number> (64)
475108-18-0

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/07171813022D

 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (65)
149

>  <Formula> (65)
C27H30ClNO11

>  <MolWeight> (65)
579.9802

>  <Item Name> (65)
Doxorubicin (Adriamycin) HCl

>  <Catalog Number> (65)
S1208

>  <Synonyms> (65)
N/A 

>  <Target> (65)
Topoisomerase

>  <Form> (65)
Hydrochloride

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

>  <CAS Number> (65)
25316-40-9

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (66)
150

>  <Formula> (66)
C4H3FN2O2

>  <MolWeight> (66)
130.0772232

>  <Item Name> (66)
Adrucil (Fluorouracil)

>  <Catalog Number> (66)
S1209

>  <Synonyms> (66)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (66)
DNA/RNA Synthesis

>  <Form> (66)
Free Base

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

>  <CAS Number> (66)
51-21-8

$$$$
Abitrexate (Methotrexate).cdx
csChFnd80/07171813022D

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 29 32  2  0  0  0  0
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M  END
>  <Mol_ID> (67)
151

>  <Formula> (67)
C20H22N8O5

>  <MolWeight> (67)
454.43928

>  <Item Name> (67)
Abitrexate (Methotrexate)

>  <Catalog Number> (67)
S1210

>  <Synonyms> (67)
Methotrexate, Rheumatrex, Trexall

>  <Target> (67)
DHFR

>  <Form> (67)
Free Base

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

>  <CAS Number> (67)
59-05-2

$$$$
Imiquimod.cdx
csChFnd80/07171813022D

 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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M  END
>  <Mol_ID> (68)
152

>  <Formula> (68)
C14H16N4

>  <MolWeight> (68)
240.30364

>  <Item Name> (68)
Imiquimod

>  <Catalog Number> (68)
S1211

>  <Synonyms> (68)
Aldara

>  <Target> (68)
Immunology & Inflammation related

>  <Form> (68)
Free Base

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

>  <CAS Number> (68)
99011-02-6

$$$$
Bendamustine Hydrochloride.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (69)
153

>  <Formula> (69)
C16H22Cl3N3O2

>  <MolWeight> (69)
394.72378

>  <Item Name> (69)
Bendamustine HCL 

>  <Catalog Number> (69)
S1212

>  <Synonyms> (69)
Ribomustin, Treanda, SDX-105

>  <Target> (69)
DNA/RNA Synthesis

>  <Form> (69)
Hydrochloride

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

>  <CAS Number> (69)
3543-75-7

$$$$
Arranon (Nelarabine).cdx
csChFnd80/07171813022D

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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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  2  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  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 13  1  0  0  0  0
 13  7  1  6  0  0  0
 16 18  1  6  0  0  0
 14 19  1  6  0  0  0
 15 20  1  1  0  0  0
 18 21  1  0  0  0  0
M  END
>  <Mol_ID> (70)
154

>  <Formula> (70)
C11H15N5O5

>  <MolWeight> (70)
297.2673

>  <Item Name> (70)
Nelarabine (Arranon)

>  <Catalog Number> (70)
S1213

>  <Synonyms> (70)
Arranon

>  <Target> (70)
DNA/RNA Synthesis 

>  <Form> (70)
Free Base

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

>  <CAS Number> (70)
121032-29-9

$$$$
Carboplatin.cdx
csChFnd80/07171813022D

 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> (71)
156

>  <Formula> (71)
C6H12N2O4Pt

>  <MolWeight> (71)
371.24848

>  <Item Name> (71)
Carboplatin

>  <Catalog Number> (71)
S1215

>  <Synonyms> (71)
Paraplatin

>  <Target> (71)
DNA/RNA Synthesis

>  <Form> (71)
Free Base

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

>  <CAS Number> (71)
41575-94-4

$$$$
Clofarabine.cdx
csChFnd80/07171813022D

 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> (72)
157

>  <Formula> (72)
C10H11ClFN5O3

>  <MolWeight> (72)
303.6774432

>  <Item Name> (72)
Clofarabine

>  <Catalog Number> (72)
S1218

>  <Synonyms> (72)
Clolar, Evoltra

>  <Target> (72)
DNA/RNA Synthesis

>  <Form> (72)
Free Base

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

>  <CAS Number> (72)
123318-82-1

$$$$
Dexrazoxane Hydrochloride.cdx
csChFnd80/07171813022D

 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> (73)
159

>  <Formula> (73)
C11H17ClN4O4

>  <MolWeight> (73)
304.73008

>  <Item Name> (73)
Dexrazoxane Hydrochloride

>  <Catalog Number> (73)
S1222

>  <Synonyms> (73)
Totect, ICRF-187, Zinecard, Cardioxane

>  <Target> (73)
Others

>  <Form> (73)
Hydrochloride

>  <URL> (73)
http://www.selleckchem.com/products/Dexrazoxane-Hydrochloride.html

>  <CAS Number> (73)
149003-01-0

$$$$
Ellence (Epirubicin Hydrochloride).cdx
csChFnd80/07171813022D

 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
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    6.0622    6.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.3158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  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
 16 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 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> (74)
160

>  <Formula> (74)
C27H30ClNO11

>  <MolWeight> (74)
579.9802

>  <Item Name> (74)
Epirubicin Hydrochloride

>  <Catalog Number> (74)
S1223

>  <Synonyms> (74)
Ellence, Pharmorubicin, Epirubicin Ebewe

>  <Target> (74)
Topoisomerase 

>  <Form> (74)
Hydrochloride

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

>  <CAS Number> (74)
56390-09-1

$$$$
Eloxatin (Oxaliplatin).cdx
csChFnd80/07171813022D

 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> (75)
161

>  <Formula> (75)
C8H14N2O4Pt

>  <MolWeight> (75)
397.28576

>  <Item Name> (75)
Oxaliplatin (Eloxatin)

>  <Catalog Number> (75)
S1224

>  <Synonyms> (75)
Eloxatin

>  <Target> (75)
DNA/RNA Synthesis 

>  <Form> (75)
Free Base

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

>  <CAS Number> (75)
61825-94-3

$$$$
Etoposide.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (76)
162

>  <Formula> (76)
C29H32O13

>  <MolWeight> (76)
588.55658

>  <Item Name> (76)
Etoposide (VP-16)
Etoposide

>  <Catalog Number> (76)
S1225

>  <Synonyms> (76)
Vepesid 

>  <Target> (76)
Topoisomerase

>  <Form> (76)
Free Base

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

>  <CAS Number> (76)
33419-42-0

$$$$
Evista (Raloxifene Hydrochloride).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (77)
164

>  <Formula> (77)
C28H28ClNO4S

>  <MolWeight> (77)
510.04422

>  <Item Name> (77)
Evista (Raloxifene Hydrochloride)

>  <Catalog Number> (77)
S1227

>  <Synonyms> (77)
Raloxifene Hydrochloride, keoxifene

>  <Target> (77)
Estrogen/progestogen Receptor

>  <Form> (77)
Hydrochloride

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

>  <CAS Number> (77)
82640-04-8

$$$$
Idarubicin Hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (78)
165

>  <Formula> (78)
C26H28ClNO9

>  <MolWeight> (78)
533.95482

>  <Item Name> (78)
Idarubicin HCl

>  <Catalog Number> (78)
S1228

>  <Synonyms> (78)
Idamycin, Zavedos, 4-demethoxydaunorubicin 

>  <Target> (78)
Topoisomerase

>  <Form> (78)
Hydrochloride

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

>  <CAS Number> (78)
57852-57-0

$$$$
Fludara (Fludarabine Phosphate).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (79)
166

>  <Formula> (79)
C10H13FN5O7P

>  <MolWeight> (79)
365.2116842

>  <Item Name> (79)
Fludarabine Phosphate (Fludara)

>  <Catalog Number> (79)
S1229

>  <Synonyms> (79)
N/A 

>  <Target> (79)
DNA/RNA Synthesis

>  <Form> (79)
Phosphate

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

>  <CAS Number> (79)
75607-67-9

$$$$
Topotecan.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (80)
167

>  <Formula> (80)
C23H24ClN3O5

>  <MolWeight> (80)
457.90676

>  <Item Name> (80)
Topotecan HCl

>  <Catalog Number> (80)
S1231

>  <Synonyms> (80)
Hycamtin, NSC 609699

>  <Target> (80)
Topoisomerase 

>  <Form> (80)
Hydrochloride

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

>  <CAS Number> (80)
119413-54-6

$$$$
Letrozole.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (81)
169

>  <Formula> (81)
C17H11N5

>  <MolWeight> (81)
285.30274

>  <Item Name> (81)
Letrozole

>  <Catalog Number> (81)
S1235

>  <Synonyms> (81)
Femara, Piroxicam 

>  <Target> (81)
Aromatase 

>  <Form> (81)
Free Base

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

>  <CAS Number> (81)
112809-51-5

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (82)
170

>  <Formula> (82)
C6H6N6O2

>  <MolWeight> (82)
194.15084

>  <Item Name> (82)
Temozolomide

>  <Catalog Number> (82)
S1237

>  <Synonyms> (82)
Methazolastone, Temodar, Temodal

>  <Target> (82)
DNA/RNA Synthesis

>  <Form> (82)
Free Base

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

>  <CAS Number> (82)
85622-93-1

$$$$
Agomelatine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (83)
171

>  <Formula> (83)
C15H17NO2

>  <MolWeight> (83)
243.30098

>  <Item Name> (83)
Agomelatine

>  <Catalog Number> (83)
S1243

>  <Synonyms> (83)
Valdoxan, Melitor, Thymanax

>  <Target> (83)
5-HT Receptor

>  <Form> (83)
Free Base

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

>  <CAS Number> (83)
138112-76-2

$$$$
MP-470.cdx
csChFnd80/07171813022D

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Dehydrogenase

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Free Base

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

>  <CAS Number> (85)
75706-12-6

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csChFnd80/07171813022D

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915087-33-1

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csChFnd80/07171813022D

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65928-58-7

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csChFnd80/07171813022D

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COX

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78281-72-8

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csChFnd80/07171813022D

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>  <Mol_ID> (89)
178

>  <Formula> (89)
C37H42F2N8O4

>  <MolWeight> (89)
700.7773864

>  <Item Name> (89)
Posaconazole

>  <Catalog Number> (89)
S1257

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SCH56592

>  <Target> (89)
P450 (e.g. CYP17)

>  <Form> (89)
Free Base

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

>  <CAS Number> (89)
171228-49-2

$$$$
prasugrel.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (90)
179

>  <Formula> (90)
C20H20FNO3S

>  <MolWeight> (90)
373.4411032

>  <Item Name> (90)
Prasugrel (Effient)

>  <Catalog Number> (90)
S1258

>  <Synonyms> (90)
Effient, Efient, Prasita

>  <Target> (90)
P2 Receptor

>  <Form> (90)
Free Base

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

>  <CAS Number> (90)
150322-43-3

$$$$
Ramelteon.cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (91)
180

>  <Formula> (91)
C16H21NO2

>  <MolWeight> (91)
259.34344

>  <Item Name> (91)
Ramelteon

>  <Catalog Number> (91)
S1259

>  <Synonyms> (91)
TAK-375

>  <Target> (91)
MT Receptor

>  <Form> (91)
Free Base

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

>  <CAS Number> (91)
196597-26-9

$$$$
Cinacalcet Hydrochloride.cdx
csChFnd80/07171813022D

 28 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (92)
183

>  <Formula> (92)
C22H23ClF3N

>  <MolWeight> (92)
393.8729296

>  <Item Name> (92)
AMG-073 HCl (Cinacalcet hydrochloride)

>  <Catalog Number> (92)
S1260

>  <Synonyms> (92)
Mimpara, Sensipar

>  <Target> (92)
CaSR

>  <Form> (92)
Hydrochloride

>  <URL> (92)
http://www.selleckchem.com/products/Cinacalcet-hydrochloride.html

>  <CAS Number> (92)
364782-34-3

$$$$
Celecoxib.cdx
csChFnd80/07171813022D

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184

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C17H14F3N3O2S

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Celecoxib

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S1261

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Celebrex, Celebra 

>  <Target> (93)
COX

>  <Form> (93)
Free Base

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

>  <CAS Number> (93)
169590-42-5

$$$$
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csChFnd80/07171813022D

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185

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C20H17ClF4N4O4S

>  <MolWeight> (94)
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>  <Item Name> (94)
BMS-708163 (Avagacestat)

>  <Catalog Number> (94)
S1262

>  <Synonyms> (94)
N/A 

>  <Target> (94)
Gamma-secretase

>  <Form> (94)
Free Base

>  <URL> (94)
http://www.selleckchem.com/products/BMS-708163.html

>  <CAS Number> (94)
1146699-66-2

$$$$
PLX-4032.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (95)
188

>  <Formula> (95)
C23H18ClF2N3O3S

>  <MolWeight> (95)
489.9221264

>  <Item Name> (95)
Vemurafenib (PLX4032, RG7204)

>  <Catalog Number> (95)
S1267

>  <Synonyms> (95)
RO5185426

>  <Target> (95)
Raf 

>  <Form> (95)
Free Base

>  <URL> (95)
http://www.selleckchem.com/products/PLX-4032.html

>  <CAS Number> (95)
918504-65-1

$$$$
Adapalene.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (96)
190

>  <Formula> (96)
C28H28O3

>  <MolWeight> (96)
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>  <Item Name> (96)
Adapalene

>  <Catalog Number> (96)
S1276

>  <Synonyms> (96)
Differin

>  <Target> (96)
Retinoid Receptor

>  <Form> (96)
Free Base

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

>  <CAS Number> (96)
106685-40-9

$$$$
Altretamine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (97)
191

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C9H18N6

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210.27942

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Altretamine (Hexalen)

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S1278

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Hexalen

>  <Target> (97)
DNA alkylator

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Free Base

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

>  <CAS Number> (97)
645-05-6

$$$$
Amisulpride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (98)
192

>  <Formula> (98)
C17H27N3O4S

>  <MolWeight> (98)
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>  <Item Name> (98)
Amisulpride

>  <Catalog Number> (98)
S1280

>  <Synonyms> (98)
Solian

>  <Target> (98)
Dopamine Receptor

>  <Form> (98)
Free Base

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

>  <CAS Number> (98)
71675-85-9

$$$$
Aniracetam.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (99)
193

>  <Formula> (99)
C12H13NO3

>  <MolWeight> (99)
219.23652

>  <Item Name> (99)
Aniracetam

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S1281

>  <Synonyms> (99)
Draganon, Sarpul, Ampamet

>  <Target> (99)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (99)
Free Base

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

>  <CAS Number> (99)
72432-10-1

$$$$
Asenapine maleate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (100)
194

>  <Formula> (100)
C21H20ClNO5

>  <MolWeight> (100)
401.8402

>  <Item Name> (100)
Asenapine maleate

>  <Catalog Number> (100)
S1283

>  <Synonyms> (100)
Saphris

>  <Target> (100)
Adrenergic Receptor, 5-HT Receptor

>  <Form> (100)
Maleate

>  <URL> (100)
http://www.selleckchem.com/products/Asenapine.html

>  <CAS Number> (100)
65576-45-6, 135883-08-8 (Maleic acid)

$$$$
Benazepril hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (101)
195

>  <Formula> (101)
C24H29ClN2O5

>  <MolWeight> (101)
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>  <Item Name> (101)
Benazepril hydrochloride

>  <Catalog Number> (101)
S1284

>  <Synonyms> (101)
Lotensin

>  <Target> (101)
RAAS

>  <Form> (101)
Hydrochloride

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

>  <CAS Number> (101)
86541-74-4

$$$$
Budesonide.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (102)
197

>  <Formula> (102)
C25H34O6

>  <MolWeight> (102)
430.53386

>  <Item Name> (102)
Budesonide

>  <Catalog Number> (102)
S1286

>  <Synonyms> (102)
N/A

>  <Target> (102)
Glucocorticoid Receptor

>  <Form> (102)
Free Base

>  <URL> (102)
http://www.selleckchem.com/products/Budesonide.html

>  <CAS Number> (102)
51333-22-3

$$$$
Bumetanide.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (103)
198

>  <Formula> (103)
C17H20N2O5S

>  <MolWeight> (103)
364.4161

>  <Item Name> (103)
Bumetanide

>  <Catalog Number> (103)
S1287

>  <Synonyms> (103)
Bumex

>  <Target> (103)
Others

>  <Form> (103)
Free Base

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

>  <CAS Number> (103)
28395-03-1

$$$$
Carmofur.cdx
csChFnd80/07171813022D

 18 18  0  0  0  0  0  0  0  0999 V2000
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 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (104)
199

>  <Formula> (104)
C11H16FN3O3

>  <MolWeight> (104)
257.2614432

>  <Item Name> (104)
Carmofur

>  <Catalog Number> (104)
S1289

>  <Synonyms> (104)
HCFU

>  <Target> (104)
Antimetabolites

>  <Form> (104)
Free Base

>  <URL> (104)
http://www.selleckchem.com/products/Carmofur.html

>  <CAS Number> (104)
61422-45-5

$$$$
CETIRIZINE DI HCL.cdx
csChFnd80/07171813022D

 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
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   10.8851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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M  END
>  <Mol_ID> (105)
201

>  <Formula> (105)
C21H27Cl3N2O3

>  <MolWeight> (105)
461.80968

>  <Item Name> (105)
Cetirizine Dihydrochloride

>  <Catalog Number> (105)
S1291

>  <Synonyms> (105)
Zyrtec, Reactine

>  <Target> (105)
Histamine Receptor

>  <Form> (105)
Dihydrochloride

>  <URL> (105)
http://www.selleckchem.com/products/Cetirizine-di-hcl.html

>  <CAS Number> (105)
83881-52-1

$$$$
Cilnidipine.cdx
csChFnd80/07171813022D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (106)
202

>  <Formula> (106)
C27H28N2O7

>  <MolWeight> (106)
492.52042

>  <Item Name> (106)
Cilnidipine

>  <Catalog Number> (106)
S1293

>  <Synonyms> (106)
FRC 8653 

>  <Target> (106)
Calcium Channel

>  <Form> (106)
Free Base

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

>  <CAS Number> (106)
132203-70-4

$$$$
DIETHYLSTILBESTROL (diethylstilbestrol).cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 19 12  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (107)
204

>  <Formula> (107)
C18H20O2

>  <MolWeight> (107)
268.3502

>  <Item Name> (107)
Diethylstilbestrol

>  <Catalog Number> (107)
S1859

>  <Synonyms> (107)
Stilbestrol

>  <Target> (107)
Estrogen/progestogen Receptor

>  <Form> (107)
Free Base

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

>  <CAS Number> (107)
56-53-1

$$$$
Diltiazem HCl.cdx
csChFnd80/07171813022D

 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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 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> (108)
205

>  <Formula> (108)
C22H27ClN2O4S

>  <MolWeight> (108)
450.97878

>  <Item Name> (108)
Diltiazem HCl

>  <Catalog Number> (108)
S1865

>  <Synonyms> (108)
RG 83606 HCl

>  <Target> (108)
Calcium Channel 

>  <Form> (108)
Hydrochloride

>  <URL> (108)
http://www.selleckchem.com/products/Diltiazem-HCl(Tiazac).html

>  <CAS Number> (108)
33286-22-5 

$$$$
Diphenhydramine hydrochloride.cdx
csChFnd80/07171813022D

 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
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    6.0411    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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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 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (109)
206

>  <Formula> (109)
C17H22ClNO

>  <MolWeight> (109)
291.81568

>  <Item Name> (109)
Diphenhydramine HCl (Benadryl)

>  <Catalog Number> (109)
S1866

>  <Synonyms> (109)
Dimedrol

>  <Target> (109)
Histamine Receptor

>  <Form> (109)
Hydrochloride

>  <URL> (109)
http://www.selleckchem.com/products/Diphenhydramine-hydrochloride(Benadryl).html

>  <CAS Number> (109)
147-24-0 

$$$$
Dapoxetine hydrochloride.cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.8287    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    1.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (110)
207

>  <Formula> (110)
C21H24ClNO

>  <MolWeight> (110)
341.87436

>  <Item Name> (110)
Dapoxetine hydrochloride (Priligy)

>  <Catalog Number> (110)
S1869

>  <Synonyms> (110)
Priligy, LY-210448 hydrochloride

>  <Target> (110)
5-HT Receptor

>  <Form> (110)
Hydrochloride

>  <URL> (110)
http://www.selleckchem.com/products/Dapoxetine-hydrochloride(Priligy).html

>  <CAS Number> (110)
129938-20-1

$$$$
Anagrelide hydrochloride.cdx
csChFnd80/07171813022D

 17 18  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  9  2  0  0  0  0
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M  END
>  <Mol_ID> (111)
208

>  <Formula> (111)
C10H8Cl3N3O

>  <MolWeight> (111)
292.54902

>  <Item Name> (111)
Anagrelide hydrochloride 

>  <Catalog Number> (111)
S3172

>  <Synonyms> (111)
N/A

>  <Target> (111)
PDE

>  <Form> (111)
Hydrochloride 

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

>  <CAS Number> (111)
58579-51-4

$$$$
Antipyrine.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (112)
209

>  <Formula> (112)
C11H12N2O

>  <MolWeight> (112)
188.22578

>  <Item Name> (112)
Antipyrine

>  <Catalog Number> (112)
S3173

>  <Synonyms> (112)
N/A 

>  <Target> (112)
COX

>  <Form> (112)
Free Base

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

>  <CAS Number> (112)
60-80-0

$$$$
Felodipine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (113)
210

>  <Formula> (113)
C18H19Cl2NO4

>  <MolWeight> (113)
384.25376

>  <Item Name> (113)
Felodipine (Plendil)

>  <Catalog Number> (113)
S1885

>  <Synonyms> (113)
Renedil, Feloday 

>  <Target> (113)
NULL

>  <Form> (113)
Free Base

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

>  <CAS Number> (113)
72509-76-3

$$$$
Deflazacort.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (114)
211

>  <Formula> (114)
C25H31NO6

>  <MolWeight> (114)
441.51674

>  <Item Name> (114)
Deflazacort (Calcort)

>  <Catalog Number> (114)
S1888

>  <Synonyms> (114)
Cortax, Decortil, Deflanil

>  <Target> (114)
Glucocorticoid Receptor

>  <Form> (114)
Free Base

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

>  <CAS Number> (114)
14484-47-0

$$$$
Nizatidine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (115)
212

>  <Formula> (115)
C12H21N5O2S2

>  <MolWeight> (115)
331.45744

>  <Item Name> (115)
Nizatidine

>  <Catalog Number> (115)
S1890

>  <Synonyms> (115)
Axid

>  <Target> (115)
Histamine Receptor

>  <Form> (115)
Free Base

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

>  <CAS Number> (115)
76963-41-2

$$$$
Dyclonine hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (116)
214

>  <Formula> (116)
C18H28ClNO2

>  <MolWeight> (116)
325.87342

>  <Item Name> (116)
Dyclonine hydrochloride

>  <Catalog Number> (116)
S2041

>  <Synonyms> (116)
N/A

>  <Target> (116)
Sodium Channel

>  <Form> (116)
Hydrochloride

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

>  <CAS Number> (116)
536-43-6

$$$$
CARBILEV (carbidopa).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (117)
215

>  <Formula> (117)
C10H14N2O4

>  <MolWeight> (117)
226.22916

>  <Item Name> (117)
Carbidopa

>  <Catalog Number> (117)
S1891

>  <Synonyms> (117)
Lodosyn

>  <Target> (117)
Decarboxylase

>  <Form> (117)
Free Base

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

>  <CAS Number> (117)
28860-95-9

$$$$
D-glutamine.cdx
csChFnd80/07171813022D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  2  9  2  0  0  0  0
  5 10  1  6  0  0  0
M  END
>  <Mol_ID> (118)
216

>  <Formula> (118)
C5H10N2O3

>  <MolWeight> (118)
146.1445

>  <Item Name> (118)
D-glutamine

>  <Catalog Number> (118)
S1893

>  <Synonyms> (118)
N/A

>  <Target> (118)
GluR

>  <Form> (118)
Free Base

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

>  <CAS Number> (118)
5959-95-5

$$$$
VALSARTAN (valsartan).cdx
csChFnd80/07171813022D

 33 35  0  0  0  0  0  0  0  0999 V2000
    6.0411    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    3.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.5806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2781    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    5.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.8781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0193    6.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867    7.7325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867    7.7325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7541    6.4010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  4 22  1  0  0  0  0
  9 23  1  6  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 29  2  0  0  0  0
M  END
>  <Mol_ID> (119)
217

>  <Formula> (119)
C24H29N5O3

>  <MolWeight> (119)
435.51876

>  <Item Name> (119)
Valsartan (Diovan)

>  <Catalog Number> (119)
S1894

>  <Synonyms> (119)
N/A 

>  <Target> (119)
RAAS

>  <Form> (119)
Free Base

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

>  <CAS Number> (119)
137862-53-4

$$$$

csChFnd80/07171813022D

 36 39  0  0  0  0  0  0  0  0999 V2000
    3.6372    6.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117   10.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
  9 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 32 36  1  0  0  0  0
M  END
>  <Mol_ID> (120)
218

>  <Formula> (120)
C24H40N8O4

>  <MolWeight> (120)
504.6256

>  <Item Name> (120)
Dipyridamole (Persantine)

>  <Catalog Number> (120)
S1895

>  <Synonyms> (120)
Permole

>  <Target> (120)
PDE

>  <Form> (120)
Free Base

>  <URL> (120)
http://www.selleckchem.com/products/Dipyridamole(Permole,-Persantine).html

>  <CAS Number> (120)
58-32-2

$$$$
Hydroxyurea.cdx
csChFnd80/07171813022D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
>  <Mol_ID> (121)
219

>  <Formula> (121)
CH4N2O2

>  <MolWeight> (121)
76.05466

>  <Item Name> (121)
Hydroxyurea (Cytodrox)

>  <Catalog Number> (121)
S1896

>  <Synonyms> (121)
Hydrea, Biosupressin

>  <Target> (121)
DNA/RNA Synthesis

>  <Form> (121)
Free Base

>  <URL> (121)
http://www.selleckchem.com/products/Hydroxyurea(Cytodrox).html

>  <CAS Number> (121)
127-07-1

$$$$
IOSAT (potassium iodide).cdx
csChFnd80/07171813022D

  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> (122)
220

>  <Formula> (122)
IK

>  <MolWeight> (122)
166.00277

>  <Item Name> (122)
Potassium iodide

>  <Catalog Number> (122)
S1897

>  <Synonyms> (122)
N/A 

>  <Target> (122)
Others

>  <Form> (122)
Inorganic salt

>  <URL> (122)
http://www.selleckchem.com/products/Potassium-iodide.html

>  <CAS Number> (122)
7681-11-0

$$$$
Tropisetron hydrochloride.cdx
csChFnd80/07171813022D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    4.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6618    6.0083    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9646    5.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3664    6.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0833    7.3210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6618    8.7721    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7978    6.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3541    5.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0978    5.5548    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6719    9.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6552    4.6131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    8.3109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8847    1.2688    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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
 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
 17 21  1  0  0  0  0
 13 22  1  1  0  0  0
 16 23  1  6  0  0  0
 10  9  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
>  <Mol_ID> (123)
221

>  <Formula> (123)
C17H21ClN2O2

>  <MolWeight> (123)
320.81384

>  <Item Name> (123)
Tropisetron HCl

>  <Catalog Number> (123)
S1898

>  <Synonyms> (123)
Navoban

>  <Target> (123)
5-HT Receptor

>  <Form> (123)
Hydrochloride

>  <URL> (123)
http://www.selleckchem.com/products/Tropisetron-hydrochloride.html

>  <CAS Number> (123)
105826-92-4 

$$$$
Nicotinamide.cdx
csChFnd80/07171813022D

  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
    4.8413    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> (124)
222

>  <Formula> (124)
C6H6N2O

>  <MolWeight> (124)
122.12464

>  <Item Name> (124)
Nicotinamide (Vitamin B3)

>  <Catalog Number> (124)
S1899

>  <Synonyms> (124)
Niacinamide

>  <Target> (124)
Sirtuin

>  <Form> (124)
Free Base

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

>  <CAS Number> (124)
98-92-0

$$$$
Vitamin B12.cdx
csChFnd80/07171813022D

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    3.6417   11.1555    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.8796   10.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2763   12.4529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6330   17.1265    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6481   16.1242    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.2150   20.5483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8808   19.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9316   16.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6316   17.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0316   17.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7291   16.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6040    9.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7375    4.9332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1403    1.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3145    0.6300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4025    1.5111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9008    2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7853    1.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6663    2.3801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7818    3.9061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0426    4.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0443    2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9231   18.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (125)
223

>  <Formula> (125)
C63H88CoN14O14P

>  <MolWeight> (125)
1355.365181

>  <Item Name> (125)
Vitamin B12

>  <Catalog Number> (125)
S1902

>  <Synonyms> (125)
Cobalamin, vitamin B-12, Cyanocobalamin 

>  <Target> (125)
Vitamin

>  <Form> (125)
Free Base

>  <URL> (125)
http://www.selleckchem.com/products/Vitamin-B12.html

>  <CAS Number> (125)
68-19-9

$$$$
ARTHROTEC (diclofenac sodium).cdx
csChFnd80/07171813022D

 20 20  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 Cl  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
    1.2082    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    2.1000    0.0000 C   0  0  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
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    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0125    3.3493    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
  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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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (126)
224

>  <Formula> (126)
C14H10Cl2NNaO2

>  <MolWeight> (126)
318.13047

>  <Item Name> (126)
Diclofenac Sodium

>  <Catalog Number> (126)
S1903

>  <Synonyms> (126)
GP 45840

>  <Target> (126)
COX

>  <Form> (126)
Sodium Salt 

>  <URL> (126)
http://www.selleckchem.com/products/Diclofenac-sodium.html

>  <CAS Number> (126)
15307-79-6

$$$$
FLAGYL (metronidazole).cdx
csChFnd80/07171813022D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.1099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9558    4.4353    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1072    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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  2  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
M  END
>  <Mol_ID> (127)
225

>  <Formula> (127)
C6H9N3O3

>  <MolWeight> (127)
171.15396

>  <Item Name> (127)
Metronidazole (Flagyl)

>  <Catalog Number> (127)
S1907

>  <Synonyms> (127)
Nidagyl, Mepagyl, Anagiardil, Bayer 5360, NSC 50364, NSC69587 

>  <Target> (127)
DNA/RNA Synthesis

>  <Form> (127)
Free Base

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

>  <CAS Number> (127)
443-48-1

$$$$
Flutamide .cdx
csChFnd80/07171813022D

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    0.0042    3.5049    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (128)
226

>  <Formula> (128)
C11H11F3N2O3

>  <MolWeight> (128)
276.2118496

>  <Item Name> (128)
Flutamide (Eulexin)

>  <Catalog Number> (128)
S1908

>  <Synonyms> (128)
Flutamin, Drogenil 

>  <Target> (128)
P450

>  <Form> (128)
Free Base

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

>  <CAS Number> (128)
13311-84-7

$$$$
FLUVASTATIN SODIUM.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (129)
227

>  <Formula> (129)
C24H25FNNaO4

>  <MolWeight> (129)
433.4477732

>  <Item Name> (129)
Fluvastatin sodium (Lescol)

>  <Catalog Number> (129)
S1909

>  <Synonyms> (129)
Vastin

>  <Target> (129)
HMG-CoA Reductase

>  <Form> (129)
Sodium

>  <URL> (129)
http://www.selleckchem.com/products/Fluvastatin-Sodium(Lescol).htm

>  <CAS Number> (129)
93957-55-2

$$$$
GANTANOL (sulfamethoxazole).cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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   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
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  6  1  1  0  0  0  0
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  8 16  2  0  0  0  0
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M  END
>  <Mol_ID> (130)
228

>  <Formula> (130)
C10H11N3O3S

>  <MolWeight> (130)
253.27764

>  <Item Name> (130)
Sulfamethoxazole

>  <Catalog Number> (130)
S1915

>  <Synonyms> (130)
Gantanol

>  <Target> (130)
Antifection

>  <Form> (130)
Free Base

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

>  <CAS Number> (130)
723-46-6

$$$$
GANTRISIN (sulfisoxazole).cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 15  2  0  0  0  0
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 11 18  1  0  0  0  0
M  END
>  <Mol_ID> (131)
229

>  <Formula> (131)
C11H13N3O3S

>  <MolWeight> (131)
267.30422

>  <Item Name> (131)
Sulfisoxazole

>  <Catalog Number> (131)
S1916

>  <Synonyms> (131)
Sulfafurazole, Gantrisin Pediatric

>  <Target> (131)
Antifection

>  <Form> (131)
Free Base

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

>  <CAS Number> (131)
127-69-5

$$$$

csChFnd80/07171813022D

 29 30  0  0  0  0  0  0  0  0999 V2000
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    2.7999  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (132)
230

>  <Formula> (132)
C25H30ClN3

>  <MolWeight> (132)
407.9788

>  <Item Name> (132)
Crystal violet 

>  <Catalog Number> (132)
S1917

>  <Synonyms> (132)
Gentian violet, Hexamethyl pararosaniline chloride 

>  <Target> (132)
Others

>  <Form> (132)
quaternary-N chloride salt

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

>  <CAS Number> (132)
548-62-9

$$$$
HALDOL (haloperidol).cdx
csChFnd80/07171813022D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    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
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    0.0000    5.5474    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2991    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (133)
231

>  <Formula> (133)
C21H23ClFNO2

>  <MolWeight> (133)
375.8642232

>  <Item Name> (133)
Haloperidol (Haldol)

>  <Catalog Number> (133)
S1920

>  <Synonyms> (133)
Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

>  <Target> (133)
Dopamine Receptor

>  <Form> (133)
Free Base

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

>  <CAS Number> (133)
52-86-8

$$$$
HEDULIN (phenindione).cdx
csChFnd80/07171813022D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    4.9190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    1.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    3.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
  7 11  2  0  0  0  0
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 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (134)
232

>  <Formula> (134)
C15H10O2

>  <MolWeight> (134)
222.2387

>  <Item Name> (134)
Phenindione (Rectadione)

>  <Catalog Number> (134)
S1921

>  <Synonyms> (134)
Dindevan, Rectadione

>  <Target> (134)
Vitamin

>  <Form> (134)
Free Base

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

>  <CAS Number> (134)
83-12-5

$$$$
Irsogladine.cdx
csChFnd80/07171813022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6879    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (135)
233

>  <Formula> (135)
C9H7Cl2N5

>  <MolWeight> (135)
256.09138

>  <Item Name> (135)
Irsogladine

>  <Catalog Number> (135)
S1929

>  <Synonyms> (135)
N/A

>  <Target> (135)
AChR,PDE

>  <Form> (135)
Free Base

>  <URL> (135)
http://www.selleckchem.com/products/Irsogladine-maleate.html

>  <CAS Number> (135)
57381-26-7

$$$$
KENACORT (triamcinolone).cdx
csChFnd80/07171813022D

 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
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    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
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    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
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    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
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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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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 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
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 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 23 30  2  0  0  0  0
M  END
>  <Mol_ID> (136)
234

>  <Formula> (136)
C21H27FO6

>  <MolWeight> (136)
394.4338832

>  <Item Name> (136)
Triamcinolone (Aristocort)

>  <Catalog Number> (136)
S1933

>  <Synonyms> (136)
N/A

>  <Target> (136)
Glucocorticoid Receptor

>  <Form> (136)
Free Base

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

>  <CAS Number> (136)
124-94-7

$$$$
Azilsartan MedoxoMil.cdx
csChFnd80/07171813022D

 42 47  0  0  0  0  0  0  0  0999 V2000
   10.1373    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4687    2.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (137)
235

>  <Formula> (137)
C30H24N4O8

>  <MolWeight> (137)
568.53356

>  <Item Name> (137)
Azilsartan Medoxomil (TAK-491)

>  <Catalog Number> (137)
S3057

>  <Synonyms> (137)
N/A

>  <Target> (137)
RAAS

>  <Form> (137)
Free Base

>  <URL> (137)
http://www.selleckchem.com/products/azilsartan-medoxomil-tak-491.html

>  <CAS Number> (137)
863031-21-4

$$$$
Medetomidine hcl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (138)
236

>  <Formula> (138)
C13H17ClN2

>  <MolWeight> (138)
236.74048

>  <Item Name> (138)
Medetomidine HCl

>  <Catalog Number> (138)
S3060

>  <Synonyms> (138)
N/A

>  <Target> (138)
Adrenergic Receptor

>  <Form> (138)
HCl

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

>  <CAS Number> (138)
86347-15-1

$$$$
Danofloxacin mesylate.cdx
csChFnd80/07171813022D

 33 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (139)
237

>  <Formula> (139)
C20H24FN3O6S

>  <MolWeight> (139)
453.4844632

>  <Item Name> (139)
Danofloxacin Mesylate

>  <Catalog Number> (139)
S3058

>  <Synonyms> (139)
N/A

>  <Target> (139)
Antifection

>  <Form> (139)
Mesylate

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

>  <CAS Number> (139)
119478-55-6

$$$$
Prucalopride.cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (140)
238

>  <Formula> (140)
C18H26ClN3O3

>  <MolWeight> (140)
367.87034

>  <Item Name> (140)
Prucalopride

>  <Catalog Number> (140)
S2875

>  <Synonyms> (140)
N/A

>  <Target> (140)
5-HT Receptor

>  <Form> (140)
Free Base

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

>  <CAS Number> (140)
179474-81-8

$$$$
Cilostazol.cdx
csChFnd80/07171813022D

 27 30  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (141)
239

>  <Formula> (141)
C20H27N5O2

>  <MolWeight> (141)
369.46068

>  <Item Name> (141)
Cilostazol

>  <Catalog Number> (141)
S1294

>  <Synonyms> (141)
Pletal

>  <Target> (141)
PDE

>  <Form> (141)
Free Base

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

>  <CAS Number> (141)
73963-72-1

$$$$
Floxuridine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (142)
241

>  <Formula> (142)
C9H11FN2O5

>  <MolWeight> (142)
246.1924432

>  <Item Name> (142)
Floxuridine

>  <Catalog Number> (142)
S1299

>  <Synonyms> (142)
Fludara, Fluorodeoxyuridine, FUDR, FdUrd, Floxuridin, FAMP 

>  <Target> (142)
DNA/RNA Synthesis

>  <Form> (142)
Free Base

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

>  <CAS Number> (142)
50-91-9

$$$$
Ftorafur.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4342    1.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 14 10  1  0  0  0  0
M  END
>  <Mol_ID> (143)
242

>  <Formula> (143)
C8H9FN2O3

>  <MolWeight> (143)
200.1670632

>  <Item Name> (143)
Tegafur (FT-207, NSC 148958)

>  <Catalog Number> (143)
S1300

>  <Synonyms> (143)
N/A

>  <Target> (143)
DNA/RNA Synthesis

>  <Form> (143)
Free Base

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

>  <CAS Number> (143)
17902-23-7

$$$$
Ifosfamide.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (144)
244

>  <Formula> (144)
C7H15Cl2N2O2P

>  <MolWeight> (144)
261.085961

>  <Item Name> (144)
Ifosfamide

>  <Catalog Number> (144)
S1302

>  <Synonyms> (144)
Mitoxana, Ifex

>  <Target> (144)
DNA/RNA Synthesis

>  <Form> (144)
Free Base

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

>  <CAS Number> (144)
3778-73-2

$$$$
Megestrol Acetate.cdx
csChFnd80/07171813022D

 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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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 17 25  1  1  0  0  0
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 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
M  END
>  <Mol_ID> (145)
245

>  <Formula> (145)
C24H32O4

>  <MolWeight> (145)
384.50848

>  <Item Name> (145)
Megestrol Acetate

>  <Catalog Number> (145)
S1304

>  <Synonyms> (145)
Megace, Megace ES

>  <Target> (145)
Androgen Receptor

>  <Form> (145)
Free Base

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

>  <CAS Number> (145)
595-33-5

$$$$
Mercaptopurine.cdx
csChFnd80/07171813022D

 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
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (146)
246

>  <Formula> (146)
C5H4N4S

>  <MolWeight> (146)
152.17706

>  <Item Name> (146)
Mercaptopurine (6-MP)

>  <Catalog Number> (146)
S1305

>  <Synonyms> (146)
N/A

>  <Target> (146)
DNA/RNA Synthesis 

>  <Form> (146)
Free Base

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

>  <CAS Number> (146)
50-44-2

$$$$
Pamidronate Disodium.cdx
csChFnd80/07171813022D

 15 12  0  0  0  0  0  0  0  0999 V2000
    3.7772    1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (147)
247

>  <Formula> (147)
C3H9NNa2O7P2

>  <MolWeight> (147)
279.033122

>  <Item Name> (147)
Pamidronate Disodium

>  <Catalog Number> (147)
S1311

>  <Synonyms> (147)
Aredia

>  <Target> (147)
Others

>  <Form> (147)
Disodium salt

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

>  <CAS Number> (147)
57248-88-1

$$$$
Streptozocin.cdx
csChFnd80/07171813022D

 18 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (148)
248

>  <Formula> (148)
C8H15N3O7

>  <MolWeight> (148)
265.2206

>  <Item Name> (148)
Streptozotocin (STZ)

>  <Catalog Number> (148)
S1312

>  <Synonyms> (148)
NSC-85998

>  <Target> (148)
DNA alkylator

>  <Form> (148)
Free Base

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

>  <CAS Number> (148)
18883-66-4

$$$$
Dexamethasone.cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (149)
254

>  <Formula> (149)
C22H29FO5

>  <MolWeight> (149)
392.4610632

>  <Item Name> (149)
Dexamethasone

>  <Catalog Number> (149)
S1322

>  <Synonyms> (149)
Decadron

>  <Target> (149)
IL Receptor

>  <Form> (149)
Free Base

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

>  <CAS Number> (149)
50-02-2

$$$$
Doxazosin mesylate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (150)
255

>  <Formula> (150)
C24H29N5O8S

>  <MolWeight> (150)
547.58076

>  <Item Name> (150)
Doxazosin mesylate

>  <Catalog Number> (150)
S1324

>  <Synonyms> (150)
Cardura, Carduran 

>  <Target> (150)
Adrenergic Receptor

>  <Form> (150)
Mesylate

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

>  <CAS Number> (150)
77883-43-3

$$$$
Ellagic acid.cdx
csChFnd80/07171813022D

 22 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (151)
256

>  <Formula> (151)
C14H6O8

>  <MolWeight> (151)
302.19264

>  <Item Name> (151)
Ellagic acid

>  <Catalog Number> (151)
S1327

>  <Synonyms> (151)
N/A

>  <Target> (151)
Topoisomerases

>  <Form> (151)
Free Base

>  <URL> (151)
http://www.selleckchem.com/products/Ellagic-acid.html

>  <CAS Number> (151)
476-66-4

$$$$
Etodolac.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (152)
257

>  <Formula> (152)
C17H21NO3

>  <MolWeight> (152)
287.35354

>  <Item Name> (152)
Etodolac (Lodine)

>  <Catalog Number> (152)
S1328

>  <Synonyms> (152)
Lodine, Lodine XL

>  <Target> (152)
COX
COX

>  <Form> (152)
Free Base

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

>  <CAS Number> (152)
41340-25-4

$$$$
Etomidate.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (153)
258

>  <Formula> (153)
C14H16N2O2

>  <MolWeight> (153)
244.28904

>  <Item Name> (153)
Etomidate

>  <Catalog Number> (153)
S1329

>  <Synonyms> (153)
Amidate

>  <Target> (153)
GABA Receptor

>  <Form> (153)
Free Base

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

>  <CAS Number> (153)
33125-97-2

$$$$
Fluconazole.cdx
csChFnd80/07171813022D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    5.5515    6.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.2157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2710    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1923    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  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  7  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
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 10 18  1  0  0  0  0
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 21 22  2  0  0  0  0
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M  END
>  <Mol_ID> (154)
259

>  <Formula> (154)
C13H12F2N6O

>  <MolWeight> (154)
306.2707864

>  <Item Name> (154)
Fluconazole

>  <Catalog Number> (154)
S1331

>  <Synonyms> (154)
UK 49858

>  <Target> (154)
P450 (e.g. CYP17)

>  <Form> (154)
Free Base

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

>  <CAS Number> (154)
86386-73-4

$$$$
Flumazenil.cdx
csChFnd80/07171813022D

 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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    4.7277    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7000    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9624    0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7866    6.7872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0032    4.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3927    4.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1958    3.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  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  5  1  0  0  0  0
  2 12  1  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 11  1  0  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
 13 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
M  END
>  <Mol_ID> (155)
260

>  <Formula> (155)
C15H14FN3O3

>  <MolWeight> (155)
303.2883632

>  <Item Name> (155)
Flumazenil

>  <Catalog Number> (155)
S1332

>  <Synonyms> (155)
Flumazepil, Ro 15-1788, Anexate, Lanexat, Mazicon, Roma

>  <Target> (155)
GABA Receptor

>  <Form> (155)
Free Base

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

>  <CAS Number> (155)
78755-81-4

$$$$
Fluoxetine hydrochloride.cdx
csChFnd80/07171813022D

 23 23  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
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    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 10 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 10  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (156)
261

>  <Formula> (156)
C17H19ClF3NO

>  <MolWeight> (156)
345.7870696

>  <Item Name> (156)
Fluoxetine  HCl

>  <Catalog Number> (156)
S1333

>  <Synonyms> (156)
Prozac, Sarafem

>  <Target> (156)
5-HT Receptor

>  <Form> (156)
Hydrochloride

>  <URL> (156)
http://www.selleckchem.com/products/Fluoxetine-hydrochloride.html

>  <CAS Number> (156)
56296-78-7

$$$$
Flupirtine maleate.cdx
csChFnd80/07171813022D

 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
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   10.9288    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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   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
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   15.8902    3.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
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 17 18  2  0  0  0  0
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 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 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> (157)
262

>  <Formula> (157)
C19H21FN4O6

>  <MolWeight> (157)
420.3916432

>  <Item Name> (157)
Flupirtine maleate

>  <Catalog Number> (157)
S1334

>  <Synonyms> (157)
Katadolon

>  <Target> (157)
Antimetabolites

>  <Form> (157)
Maleate

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

>  <CAS Number> (157)
75507-68-5

$$$$
Gabapentin hcl.cdx
csChFnd80/07171813022D

 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
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7772    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
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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
  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> (158)
263

>  <Formula> (158)
C9H18ClNO2

>  <MolWeight> (158)
207.69772

>  <Item Name> (158)
Gabapentin Hydrochloride

>  <Catalog Number> (158)
S1338

>  <Synonyms> (158)
Gabarone, Neurontin

>  <Target> (158)
GABA Receptor

>  <Form> (158)
Hydrochloride

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

>  <CAS Number> (158)
60142-95-2

$$$$
Galanthamine hydrobromide.cdx
csChFnd80/07171813022D

 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
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    3.4927    2.9527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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> (159)
264

>  <Formula> (159)
C17H22BrNO3

>  <MolWeight> (159)
368.26548

>  <Item Name> (159)
Galanthamine hydrobromide

>  <Catalog Number> (159)
S1339

>  <Synonyms> (159)
Reminyl

>  <Target> (159)
AChR
mAChRs

>  <Form> (159)
Hydrobromide

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

>  <CAS Number> (159)
1953-04-4

$$$$
Gatifloxacin.cdx
csChFnd80/07171813022D

 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
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    6.0580    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (160)
265

>  <Formula> (160)
C19H22FN3O4

>  <MolWeight> (160)
375.3940832

>  <Item Name> (160)
Gatifloxacin

>  <Catalog Number> (160)
S1340

>  <Synonyms> (160)
AM-1155, CG5501, BMS-206584

>  <Target> (160)
Topoisomerase

>  <Form> (160)
Free Base

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

>  <CAS Number> (160)
112811-59-3

$$$$
Genistein.cdx
csChFnd80/07171813022D

 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
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    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    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
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  5 20  1  0  0  0  0
M  END
>  <Mol_ID> (161)
266

>  <Formula> (161)
C15H10O5

>  <MolWeight> (161)
270.2369

>  <Item Name> (161)
Genistein

>  <Catalog Number> (161)
S1342

>  <Synonyms> (161)
N/A

>  <Target> (161)
Topoisomerase
EGFR

>  <Form> (161)
Free Base

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

>  <CAS Number> (161)
446-72-0

$$$$
Glimepiride.cdx
csChFnd80/07171813022D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.5406    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7531    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7984    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 33  2  0  0  0  0
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M  END
>  <Mol_ID> (162)
268

>  <Formula> (162)
C24H34N4O5S

>  <MolWeight> (162)
490.61556

>  <Item Name> (162)
Glimepiride

>  <Catalog Number> (162)
S1344

>  <Synonyms> (162)
Amaryl, Glista OD

>  <Target> (162)
DPP-4

>  <Form> (162)
Free Base

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

>  <CAS Number> (162)
93479-97-1

$$$$
Granisetron Hydrochloride.cdx
csChFnd80/07171813022D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (163)
269

>  <Formula> (163)
C18H25ClN4O

>  <MolWeight> (163)
348.8703

>  <Item Name> (163)
Granisetron HCl

>  <Catalog Number> (163)
S1345

>  <Synonyms> (163)
Kytril

>  <Target> (163)
5-HT Receptor

>  <Form> (163)
Hydrochloride

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

>  <CAS Number> (163)
107007-99-8

$$$$
Ketoconazole.cdx
csChFnd80/07171813022D

 36 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (164)
271

>  <Formula> (164)
C26H28Cl2N4O4

>  <MolWeight> (164)
531.43092

>  <Item Name> (164)
Ketoconazole

>  <Catalog Number> (164)
S1353

>  <Synonyms> (164)
Nizoral, Extina, Xolegel, Kuric

>  <Target> (164)
P450

>  <Form> (164)
Free Base

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

>  <CAS Number> (164)
65277-42-1

$$$$
Lansoprazole.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (165)
272

>  <Formula> (165)
C16H14F3N3O2S

>  <MolWeight> (165)
369.3614696

>  <Item Name> (165)
Lansoprazole

>  <Catalog Number> (165)
S1354

>  <Synonyms> (165)
Prevacid, Prevacid NapraPAC, Prevacid SoluTab

>  <Target> (165)
Proton Pump

>  <Form> (165)
Free Base

>  <URL> (165)
http://www.selleckchem.com/products/Lansoprazole.html

>  <CAS Number> (165)
103577-45-3

$$$$
Levetiracetam.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (166)
273

>  <Formula> (166)
C8H14N2O2

>  <MolWeight> (166)
170.20896

>  <Item Name> (166)
Levetiracetam

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S1356

>  <Synonyms> (166)
UCB-L059, SIB-S1

>  <Target> (166)
Calcium Channel

>  <Form> (166)
Free Base

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

>  <CAS Number> (166)
102767-28-2

$$$$
Loratadine(Alavert, Claritin).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (167)
274

>  <Formula> (167)
C22H23ClN2O2

>  <MolWeight> (167)
382.88322

>  <Item Name> (167)
Loratadine

>  <Catalog Number> (167)
S1358

>  <Synonyms> (167)
Alavert, Claritin

>  <Target> (167)
Histamine Receptor

>  <Form> (167)
Free Base

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

>  <CAS Number> (167)
79794-75-5

$$$$
ON-01910.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (168)
277

>  <Formula> (168)
C21H24NNaO8S

>  <MolWeight> (168)
473.47193

>  <Item Name> (168)
Rigosertib (ON-01910)

>  <Catalog Number> (168)
S1362

>  <Synonyms> (168)
ON-01910

>  <Target> (168)
PLK

>  <Form> (168)
Sodium Salt

>  <URL> (168)
http://www.selleckchem.com/products/ON-01910.html

>  <CAS Number> (168)
1225497-78-8

$$$$
EpothiloneB.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (169)
279

>  <Formula> (169)
C27H41NO6S

>  <MolWeight> (169)
507.68254

>  <Item Name> (169)
Patupilone (EPO906, Epothilone B)

>  <Catalog Number> (169)
S1364

>  <Synonyms> (169)
N/A 

>  <Target> (169)
Microtubule Associated

>  <Form> (169)
Free Base

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

>  <CAS Number> (169)
152044-54-7

$$$$
Amonafide.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (170)
282

>  <Formula> (170)
C16H17N3O2

>  <MolWeight> (170)
283.32508

>  <Item Name> (170)
Amonafide

>  <Catalog Number> (170)
S1367

>  <Synonyms> (170)
AS1413, Xanafide, Quinamed

>  <Target> (170)
Topoisomerase

>  <Form> (170)
Free Base

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

>  <CAS Number> (170)
69408-81-7

$$$$
Acitretin.cdx
csChFnd80/07171813022D

 24 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (171)
283

>  <Formula> (171)
C21H26O3

>  <MolWeight> (171)
326.42934

>  <Item Name> (171)
Acitretin

>  <Catalog Number> (171)
S1368

>  <Synonyms> (171)
Etretin, RO 10-1670

>  <Target> (171)
Retinoid Receptor

>  <Form> (171)
Free Base

>  <URL> (171)
http://www.selleckchem.com/products/Acitretin.html

>  <CAS Number> (171)
55079-83-9

$$$$
Cefoselis sulfate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (172)
284

>  <Formula> (172)
C19H24N8O10S3

>  <MolWeight> (172)
620.63646

>  <Item Name> (172)
Cefoselis sulfate

>  <Catalog Number> (172)
S1371

>  <Synonyms> (172)
N/A

>  <Target> (172)
Others

>  <Form> (172)
Sulfate

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

>  <CAS Number> (172)
122841-12-7

$$$$
Dorzolamide HCL.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (173)
285

>  <Formula> (173)
C10H17ClN2O4S3

>  <MolWeight> (173)
360.90098

>  <Item Name> (173)
Dorzolamide HCL

>  <Catalog Number> (173)
S1375

>  <Synonyms> (173)
Trusopt, Cosopt

>  <Target> (173)
Carbonic Anhydrase

>  <Form> (173)
Hydrochloride

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

>  <CAS Number> (173)
130693-82-2

$$$$
Gestodene.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (174)
286

>  <Formula> (174)
C21H26O2

>  <MolWeight> (174)
310.42994

>  <Item Name> (174)
Gestodene

>  <Catalog Number> (174)
S1376

>  <Synonyms> (174)
N/A

>  <Target> (174)
Estrogen/progestogen Receptor

>  <Form> (174)
Free Base

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

>  <CAS Number> (174)
60282-87-3

$$$$
Drospirenone.cdx
csChFnd80/07171813022D

 34 40  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (175)
287

>  <Formula> (175)
C24H30O3

>  <MolWeight> (175)
366.4932

>  <Item Name> (175)
Drospirenone

>  <Catalog Number> (175)
S1377

>  <Synonyms> (175)
Angeliq

>  <Target> (175)
Estrogen/progestogen Receptor

>  <Form> (175)
Free Base

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

>  <CAS Number> (175)
67392-87-4

$$$$
Isotretinoin.cdx
csChFnd80/07171813022D

 22 22  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (176)
288

>  <Formula> (176)
C20H28O2

>  <MolWeight> (176)
300.43512

>  <Item Name> (176)
Isotretinoin

>  <Catalog Number> (176)
S1379

>  <Synonyms> (176)
Accutane, Amnesteem, Claravis, Sotret

>  <Target> (176)
Hydroxylase

>  <Form> (176)
Free Base

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

>  <CAS Number> (176)
4759-48-2

$$$$
LOPINAVIR (lopinavir).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (177)
289

>  <Formula> (177)
C37H48N4O5

>  <MolWeight> (177)
628.80082

>  <Item Name> (177)
Lopinavir (ABT-378)

>  <Catalog Number> (177)
S1380

>  <Synonyms> (177)
ABT-378

>  <Target> (177)
HIV Protease

>  <Form> (177)
Free Base

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

>  <CAS Number> (177)
192725-17-0

$$$$
Meropenem.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (178)
290

>  <Formula> (178)
C17H25N3O5S

>  <MolWeight> (178)
383.4625

>  <Item Name> (178)
Meropenem

>  <Catalog Number> (178)
S1381

>  <Synonyms> (178)
SM 7338

>  <Target> (178)
Antifection

>  <Form> (178)
Free Base

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

>  <CAS Number> (178)
96036-03-2

$$$$
Mianserin hydrochloride.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (179)
291

>  <Formula> (179)
C18H21ClN2

>  <MolWeight> (179)
300.82574

>  <Item Name> (179)
Mianserin HCl

>  <Catalog Number> (179)
S1382

>  <Synonyms> (179)
ORG GB-94 HCl

>  <Target> (179)
Histamine Receptor(HT receptor)

>  <Form> (179)
Hydrochloride

>  <URL> (179)
http://www.selleckchem.com/products/Mianserin-hydrochloride.html

>  <CAS Number> (179)
21535-47-7

$$$$
Mizoribine.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (180)
293

>  <Formula> (180)
C9H13N3O6

>  <MolWeight> (180)
259.21602

>  <Item Name> (180)
Mizoribine (Bredinin)

>  <Catalog Number> (180)
S1384

>  <Synonyms> (180)
HE 69

>  <Target> (180)
DNA/RNA Synthesis

>  <Form> (180)
Free Base

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

>  <CAS Number> (180)
50924-49-7

$$$$
Mosapride citrate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (181)
294

>  <Formula> (181)
C27H33ClFN3O10

>  <MolWeight> (181)
614.0164232

>  <Item Name> (181)
Mosapride citrate

>  <Catalog Number> (181)
S1385

>  <Synonyms> (181)
TAK-370, AS-4370, Gasmot

>  <Target> (181)
5-HT Receptor

>  <Form> (181)
Citrate

>  <URL> (181)
http://www.selleckchem.com/products/Mosapride-citrate.html

>  <CAS Number> (181)
112885-42-4

$$$$
Nafamostat mesylate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (182)
295

>  <Formula> (182)
C21H25N5O8S2

>  <MolWeight> (182)
539.5819

>  <Item Name> (182)
Nafamostat mesylate

>  <Catalog Number> (182)
S1386

>  <Synonyms> (182)
Futhan, FUT-175

>  <Target> (182)
Proteasome

>  <Form> (182)
Dimesylate

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

>  <CAS Number> (182)
82956-11-4

$$$$
Naftopidil.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (183)
296

>  <Formula> (183)
C24H30Cl2N2O3

>  <MolWeight> (183)
465.4126

>  <Item Name> (183)
Naftopidil Dihydrochloride

>  <Catalog Number> (183)
S1387

>  <Synonyms> (183)
Flivas, KT-611, Avishot 

>  <Target> (183)
Adrenergic Receptor

>  <Form> (183)
Dihydrochloride

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

>  <CAS Number> (183)
57149-08-3

$$$$
Omeprazole.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (184)
297

>  <Formula> (184)
C17H19N3O3S

>  <MolWeight> (184)
345.41606

>  <Item Name> (184)
Omeprazole (Prilosec)

>  <Catalog Number> (184)
S1389

>  <Synonyms> (184)
Losec, Omesec, Prilosec, Zegerid

>  <Target> (184)
Proton Pump, ATPase

>  <Form> (184)
Free Base

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

>  <CAS Number> (184)
73590-58-6

$$$$
Ondansetron hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (185)
298

>  <Formula> (185)
C18H20ClN3O

>  <MolWeight> (185)
329.8239

>  <Item Name> (185)
Ondansetron hydrochloride (Zofran)

>  <Catalog Number> (185)
S1390

>  <Synonyms> (185)
Ondemet, Emeset, Emetron

>  <Target> (185)
5-HT Receptor

>  <Form> (185)
Hydrochloride

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

>  <CAS Number> (185)
99614-01-4

$$$$
Pelitinib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (186)
299

>  <Formula> (186)
C24H23ClFN5O2

>  <MolWeight> (186)
467.9231232

>  <Item Name> (186)
Pelitinib (EKB-569)

>  <Catalog Number> (186)
S1392

>  <Synonyms> (186)
WAY-EKB 569

>  <Target> (186)
EGFR

>  <Form> (186)
Free Base

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

>  <CAS Number> (186)
257933-82-7

$$$$
Pizotifen malate.cdx
csChFnd80/07171813022D

 30 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (187)
300

>  <Formula> (187)
C23H27NO5S

>  <MolWeight> (187)
429.52918

>  <Item Name> (187)
Pizotifen malate

>  <Catalog Number> (187)
S1394

>  <Synonyms> (187)
BC-105

>  <Target> (187)
5-HT Receptor

>  <Form> (187)
Malate

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

>  <CAS Number> (187)
5189-11-7

$$$$
resveratrol.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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M  END
>  <Mol_ID> (188)
301

>  <Formula> (188)
C14H12O3

>  <MolWeight> (188)
228.24328

>  <Item Name> (188)
Resveratrol

>  <Catalog Number> (188)
S1396

>  <Synonyms> (188)
N/A

>  <Target> (188)
Sirtuin

>  <Form> (188)
Free Base

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

>  <CAS Number> (188)
501-36-0

$$$$
Rocuronium bromide.cdx
csChFnd80/07171813022D

 43 47  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (189)
302

>  <Formula> (189)
C32H53BrN2O4

>  <MolWeight> (189)
609.67822

>  <Item Name> (189)
Rocuronium bromide

>  <Catalog Number> (189)
S1397

>  <Synonyms> (189)
Zemuron, Esmeron

>  <Target> (189)
AChR

>  <Form> (189)
Bromide

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

>  <CAS Number> (189)
119302-91-9

$$$$
Stavudine.cdx
csChFnd80/07171813022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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Reverse Transcriptase

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Free Base

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

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3056-17-5

$$$$

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Viread

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Reverse Transcriptase

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Fumarate

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http://www.selleckchem.com/products/Tenofovir-Disoproxil-Fumarate.html

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202138-50-9

$$$$
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http://www.selleckchem.com/products/Tenofovir.html

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147127-20-6

$$$$
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Survivin

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>  <URL> (193)
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>  <CAS Number> (193)
781661-94-7

$$$$
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Antifection

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Free Base

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

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220620-09-7

$$$$
Trilostane.cdx
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S1404

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Vetoryl

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Dehydrogenase

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Free Base

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

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13647-35-3

$$$$
Vecuronium Bromide.cdx
csChFnd80/07171813022D

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309

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C34H57BrN2O4

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Vecuronium Bromide

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Norcuron, Org NC 45

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AChR

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Bromide

>  <URL> (196)
http://www.selleckchem.com/products/Vecuronium-Bromide.html#

>  <CAS Number> (196)
50700-72-6

$$$$
bimatoprost.cdx
csChFnd80/07171813022D

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Lumigan

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Immunology & Inflammation related

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Free Base

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

>  <CAS Number> (197)
155206-00-1

$$$$
Linezolid.cdx
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    4.8455    0.7024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5452    4.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4819    5.3661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7819    6.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3757    7.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8819    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5795    6.5743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9747    6.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6722    7.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6722    5.3661    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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  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
  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
  3 14  1  0  0  0  0
  7 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18  7  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  1  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
M  END
>  <Mol_ID> (198)
311

>  <Formula> (198)
C16H20FN3O4

>  <MolWeight> (198)
337.3461032

>  <Item Name> (198)
Linezolid (Zyvox)

>  <Catalog Number> (198)
S1408

>  <Synonyms> (198)
Zyvoxid, Zyvoxam

>  <Target> (198)
Antifection

>  <Form> (198)
Free Base

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

>  <CAS Number> (198)
165800-03-3

$$$$
Alfuzosin HCl.cdx
csChFnd80/07171813022D

 29 30  0  0  0  0  0  0  0  0999 V2000
    2.4207    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.3521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.3521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.4472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.2545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    3.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.2545    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4786    1.8594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    5.3472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0903    1.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4884    1.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9901    3.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9021    4.0170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3887    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 16 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
M  END
>  <Mol_ID> (199)
312

>  <Formula> (199)
C19H28ClN5O4

>  <MolWeight> (199)
425.90972

>  <Item Name> (199)
Alfuzosin hydrochloride (Uroxatral)

>  <Catalog Number> (199)
S1409

>  <Synonyms> (199)
Uroxatral

>  <Target> (199)
Adrenergic Receptor

>  <Form> (199)
Hydrochloride

>  <URL> (199)
http://www.selleckchem.com/products/Alfuzosin-hydrochloride.html

>  <CAS Number> (199)
81403-68-1

$$$$
Clopidogrel bisulfate.cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    0.2674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0495    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    4.1665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.2392    4.1665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    5.5665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8392    2.7665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  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
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
  7 18  1  1  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (200)
314

>  <Formula> (200)
C16H18ClNO6S2

>  <MolWeight> (200)
419.90022

>  <Item Name> (200)
Clopidogrel (Plavix)

>  <Catalog Number> (200)
S1415

>  <Synonyms> (200)
Iscover 

>  <Target> (200)
P2 Receptor

>  <Form> (200)
Sulfate

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

>  <CAS Number> (200)
120202-66-6

$$$$
5-Aminolevulinic acid hydrochloride.cdx
csChFnd80/07171813022D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9360    1.8512    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  2  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (201)
315

>  <Formula> (201)
C5H10ClNO3

>  <MolWeight> (201)
167.5908

>  <Item Name> (201)
5-Aminolevulinic acid hydrochloride

>  <Catalog Number> (201)
S2553

>  <Synonyms> (201)
Levulan, ALA

>  <Target> (201)
Others

>  <Form> (201)
Hydrochloride

>  <URL> (201)
http://www.selleckchem.com/products/5-Aminolevulinic-acid-hydrochloride.html

>  <CAS Number> (201)
5451-09-2

$$$$
Ranolazine dihydrochloride.cdx
csChFnd80/07171813022D

 33 33  0  0  0  0  0  0  0  0999 V2000
    4.1915    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1915    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9832    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8246    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4039    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6121    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8203    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0286    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4534    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2410    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6617    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   15.0823    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2948    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2948    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0823    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8699    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7196    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5072    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2990    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6878    3.4964    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (202)
317

>  <Formula> (202)
C24H35Cl2N3O4

>  <MolWeight> (202)
500.4584

>  <Item Name> (202)
Ranolazine dihydrochloride

>  <Catalog Number> (202)
S1425

>  <Synonyms> (202)
RS 43285-193, RS-43285, Ranexa, renolazine 

>  <Target> (202)
Calcium Channel

>  <Form> (202)
Dihydrochloride

>  <URL> (202)
http://www.selleckchem.com/products/Ranolazine-dihydrochloride.html

>  <CAS Number> (202)
95635-56-6

$$$$
Repaglinide.cdx
csChFnd80/07171813022D

 33 35  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  1  7  1  0  0  0  0
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  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
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 17 18  1  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  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  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
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (203)
318

>  <Formula> (203)
C27H36N2O4

>  <MolWeight> (203)
452.58574

>  <Item Name> (203)
Repaglinide

>  <Catalog Number> (203)
S1426

>  <Synonyms> (203)
Prandin, GlucoNorm, NovoNorm

>  <Target> (203)
Potassium Channel

>  <Form> (203)
Free Base

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

>  <CAS Number> (203)
135062-02-1

$$$$
Risedronate sodium.cdx
csChFnd80/07171813022D

 18 17  0  0  0  0  0  0  0  0999 V2000
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    4.8413    2.7046    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    3.4022    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.5413    1.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    1.3523    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2665    0.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    0.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (204)
319

>  <Formula> (204)
C7H10NNaO7P2

>  <MolWeight> (204)
305.094092

>  <Item Name> (204)
Risedronate sodium

>  <Catalog Number> (204)
S1428

>  <Synonyms> (204)
Actonel

>  <Target> (204)
Others

>  <Form> (204)
Sodium salt

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

>  <CAS Number> (204)
115436-72-1

$$$$
Rolipram.cdx
csChFnd80/07171813022D

 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
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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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  1  8  1  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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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (205)
320

>  <Formula> (205)
C16H21NO3

>  <MolWeight> (205)
275.34284

>  <Item Name> (205)
Rolipram

>  <Catalog Number> (205)
S1430

>  <Synonyms> (205)
N/A

>  <Target> (205)
PDE

>  <Form> (205)
Free Base

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

>  <CAS Number> (205)
61413-54-5

$$$$
Sildenafil citrate.cdx
csChFnd80/07171813022D

 46 48  0  0  0  0  0  0  0  0999 V2000
    4.0082    9.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4331    9.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000   10.5995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.3871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   11.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876   11.2995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.1746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 15  8  1  0  0  0  0
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 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
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 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
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M  END
>  <Mol_ID> (206)
322

>  <Formula> (206)
C28H38N6O11S

>  <MolWeight> (206)
666.69992

>  <Item Name> (206)
Sildenafil citrate

>  <Catalog Number> (206)
S1431

>  <Synonyms> (206)
Viagra, Revatio 

>  <Target> (206)
PDE

>  <Form> (206)
Citrate

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

>  <CAS Number> (206)
171599-83-0

$$$$

csChFnd80/07171813022D

 28 28  0  0  0  0  0  0  0  0999 V2000
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   19.4018   -7.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6143   -7.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4018   -9.2768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7645   -5.7768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 22 28  2  0  0  0  0
M  END
>  <Mol_ID> (207)
323

>  <Formula> (207)
C18H27N3O6S

>  <MolWeight> (207)
413.48848

>  <Item Name> (207)
Sumatriptan succinate

>  <Catalog Number> (207)
S1432

>  <Synonyms> (207)
Imigran, mitrex, Imitrex, Suminat, Sumitrex

>  <Target> (207)
5-HT Receptor

>  <Form> (207)
Succinate

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

>  <CAS Number> (207)
103628-48-4

$$$$
Tianeptine sodium salt.cdx
csChFnd80/07171813022D

 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> (208)
324

>  <Formula> (208)
C21H24ClN2NaO4S

>  <MolWeight> (208)
458.93403

>  <Item Name> (208)
Tianeptine sodium

>  <Catalog Number> (208)
S1436

>  <Synonyms> (208)
Stablon, Coaxil, Tatinol

>  <Target> (208)
5-HT Receptor

>  <Form> (208)
Sodium Salt

>  <URL> (208)
http://www.selleckchem.com/products/Tianeptine-sodium-salt.html

>  <CAS Number> (208)
30123-17-2

$$$$
Topiramate.cdx
csChFnd80/07171813022D

 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> (209)
325

>  <Formula> (209)
C12H21NO8S

>  <MolWeight> (209)
339.36204

>  <Item Name> (209)
Topiramate

>  <Catalog Number> (209)
S1438

>  <Synonyms> (209)
Topamax

>  <Target> (209)
Carbonic Anhydrase

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/Topiramate.html

>  <CAS Number> (209)
97240-79-4

$$$$
Tranilast.cdx
csChFnd80/07171813022D

 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> (210)
326

>  <Formula> (210)
C18H17NO5

>  <MolWeight> (210)
327.33128

>  <Item Name> (210)
Tranilast (SB 252218)

>  <Catalog Number> (210)
S1439

>  <Synonyms> (210)
Rizaben, MK 341, Tranpro

>  <Target> (210)
Immunology & Inflammation related

>  <Form> (210)
Free Base

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

>  <CAS Number> (210)
53902-12-8
53902-12-8

$$$$
Varenicline tartrate.cdx
csChFnd80/07171813022D

 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> (211)
327

>  <Formula> (211)
C17H19N3O6

>  <MolWeight> (211)
361.34926

>  <Item Name> (211)
Varenicline tartrate

>  <Catalog Number> (211)
S1440

>  <Synonyms> (211)
Chantix, Champix

>  <Target> (211)
AChR

>  <Form> (211)
Tartrate

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

>  <CAS Number> (211)
375815-87-5

$$$$
Venlafaxine hydrochloride.cdx
csChFnd80/07171813022D

 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
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 18 10  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (212)
328

>  <Formula> (212)
C17H28ClNO2

>  <MolWeight> (212)
313.86272

>  <Item Name> (212)
Venlafaxine HCl

>  <Catalog Number> (212)
S1441

>  <Synonyms> (212)
Effexor, Efexor 

>  <Target> (212)
5-HT Receptor

>  <Form> (212)
Hydrochloride

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

>  <CAS Number> (212)
99300-78-4

$$$$
Voriconazole.cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    4.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879    4.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    6.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    7.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899    7.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    8.7735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    9.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2281    8.5367    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
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 11  1  0  0  0  0
 18 19  1  0  0  0  0
  8 20  1  6  0  0  0
  9 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (213)
329

>  <Formula> (213)
C16H14F3N5O

>  <MolWeight> (213)
349.3104696

>  <Item Name> (213)
Voriconazole

>  <Catalog Number> (213)
S1442

>  <Synonyms> (213)
Vfend

>  <Target> (213)
P450

>  <Form> (213)
Free Base

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

>  <CAS Number> (213)
137234-62-9

$$$$
Zileuton.cdx
csChFnd80/07171813022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6720    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (214)
330

>  <Formula> (214)
C11H12N2O2S

>  <MolWeight> (214)
236.29018

>  <Item Name> (214)
Zileuton

>  <Catalog Number> (214)
S1443

>  <Synonyms> (214)
ZYFLO

>  <Target> (214)
Lipoxygenase

>  <Form> (214)
Free Base

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

>  <CAS Number> (214)
111406-87-2

$$$$
Ziprasidone hydrochloride.cdx
csChFnd80/07171813022D

 29 32  0  0  0  0  0  0  0  0999 V2000
   13.3575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1575    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0575    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8901    3.7563    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7575    4.5792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2934    4.1890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0023    5.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    5.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6304    5.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215    3.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2530    3.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2989    5.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3090    4.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    4.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5943    6.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2420    6.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    5.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    4.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9667    3.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8540    5.6572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    4.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    3.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    7.2015    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    7.9112    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 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 18  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 19 27  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (215)
331

>  <Formula> (215)
C21H22Cl2N4OS

>  <MolWeight> (215)
449.39658

>  <Item Name> (215)
Ziprasidone hydrochloride

>  <Catalog Number> (215)
S1444

>  <Synonyms> (215)
Geodon, Zeldox

>  <Target> (215)
5-HT Receptor,Dopamine Receptor

>  <Form> (215)
Hydrochloride

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

>  <CAS Number> (215)
122883-93-6

$$$$
Zonisamide.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.7698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5698    1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4698    2.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2541    3.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    0.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3991    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (216)
332

>  <Formula> (216)
C8H8N2O3S

>  <MolWeight> (216)
212.22572

>  <Item Name> (216)
Zonisamide

>  <Catalog Number> (216)
S1445

>  <Synonyms> (216)
Zonegran

>  <Target> (216)
Sodium Channel

>  <Form> (216)
Free Base

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

>  <CAS Number> (216)
68291-97-4

$$$$
Ispinesib, SB-715992.cdx
csChFnd80/07171813022D

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.0538   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   13.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   14.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   10.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.7806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   10.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    9.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Kinesin

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Free Base

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336113-53-2

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PDE

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http://www.selleckchem.com/products/Cilomilast(SB-207499).html

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153259-65-5

$$$$
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340

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N/A

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ETA Receptor

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Free Base

>  <URL> (219)
http://www.selleckchem.com/products/Zibotentan(ZD4054).html

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186497-07-4

$$$$
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HIF

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Free Base

>  <URL> (220)
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>  <CAS Number> (220)
808118-40-3

$$$$
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csChFnd80/07171813022D

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Marbocyl, Zeniquin

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Topoisomerase

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Free Base

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

>  <CAS Number> (221)
115550-35-1

$$$$
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csChFnd80/07171813022D

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>  <Mol_ID> (222)
348

>  <Formula> (222)
C28H44O2

>  <MolWeight> (222)
412.64776

>  <Item Name> (222)
Doxercalciferol (Hectorol)

>  <Catalog Number> (222)
S1467

>  <Synonyms> (222)
Hectorol

>  <Target> (222)
Vitamin

>  <Form> (222)
Free Base

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

>  <CAS Number> (222)
54573-75-0

$$$$
Alfacalcidol.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (223)
349

>  <Formula> (223)
C27H44O2

>  <MolWeight> (223)
400.63706

>  <Item Name> (223)
Alfacalcidol

>  <Catalog Number> (223)
S1468

>  <Synonyms> (223)
Alpha D3, Etalpha

>  <Target> (223)
Vitamin

>  <Form> (223)
Free Base

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

>  <CAS Number> (223)
41294-56-8

$$$$
Moxifloxacin hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (224)
350

>  <Formula> (224)
C21H25ClFN3O4

>  <MolWeight> (224)
437.8923032

>  <Item Name> (224)
Moxifloxacin hydrochloride

>  <Catalog Number> (224)
S1465

>  <Synonyms> (224)
Avelox, Avalox

>  <Target> (224)
Topoisomerase

>  <Form> (224)
Hydrochloride

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

>  <CAS Number> (224)
186826-86-8

$$$$
TSU-68 (SU6668).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (225)
352

>  <Formula> (225)
C18H18N2O3

>  <MolWeight> (225)
310.34712

>  <Item Name> (225)
Orantinib (TSU-68, SU6668)

>  <Catalog Number> (225)
S1470

>  <Synonyms> (225)
NSC 702827

>  <Target> (225)
VEGFR, PDGFR , FGFR 

>  <Form> (225)
Free Base

>  <URL> (225)
http://www.selleckchem.com/products/TSU-68(SU6668).html

>  <CAS Number> (225)
252916-29-3

$$$$
FCE28073.cdx
csChFnd80/07171813022D

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353

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>  <Item Name> (226)
Safinamide Mesylate (FCE28073)

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S1472

>  <Synonyms> (226)
FCE-28073(R-isomer), PNU-151774E, NW-1015 

>  <Target> (226)
MAO

>  <Form> (226)
Mesylate

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

>  <CAS Number> (226)
202825-46-5

$$$$
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355

>  <Formula> (227)
C15H15FIN3O3

>  <MolWeight> (227)
431.2007732

>  <Item Name> (227)
Pimasertib (AS-703026)

>  <Catalog Number> (227)
S1475

>  <Synonyms> (227)
MSC1936369B, SAR 245509

>  <Target> (227)
MEK 

>  <Form> (227)
Free Base

>  <URL> (227)
http://www.selleckchem.com/products/AS703026.html

>  <CAS Number> (227)
1236699-92-5

$$$$
VX-222.cdx
csChFnd80/07171813022D

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358

>  <Formula> (228)
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>  <MolWeight> (228)
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>  <Item Name> (228)
Lomibuvir (VX-222, VCH-222)

>  <Catalog Number> (228)
S1480

>  <Synonyms> (228)
N/A

>  <Target> (228)
HCV Protease

>  <Form> (228)
Free Base

>  <URL> (228)
http://www.selleckchem.com/products/VX-222.html

>  <CAS Number> (228)
1026785-55-6

$$$$
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csChFnd80/07171813022D

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359

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C32H34Cl3F2N3O2

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LY335979 (Zosuquidar trihydrochloride)

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RS-33295-198

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P-gp

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Trihydrochlorid

>  <URL> (229)
http://www.selleckchem.com/products/LY335979.html

>  <CAS Number> (229)
167465-36-3

$$$$
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M  END
>  <Mol_ID> (230)
360

>  <Formula> (230)
C40H50N8O6

>  <MolWeight> (230)
738.875

>  <Item Name> (230)
Daclatasvir (BMS-790052)

>  <Catalog Number> (230)
S1482

>  <Synonyms> (230)
N/A

>  <Target> (230)
HCV Protease

>  <Form> (230)
Free Base

>  <URL> (230)
http://www.selleckchem.com/products/BMS-790052.html

>  <CAS Number> (230)
1009119-64-5

$$$$
Iloperidone.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (231)
361

>  <Formula> (231)
C24H27FN2O4

>  <MolWeight> (231)
426.4805832

>  <Item Name> (231)
Iloperidone (Fanapt)

>  <Catalog Number> (231)
S1483

>  <Synonyms> (231)
Fanapta, Zomaril 

>  <Target> (231)
5-HT Receptor

>  <Form> (231)
Free Base

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

>  <CAS Number> (231)
133454-47-4

$$$$
Naratriptan Hydrochloride.cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (232)
366

>  <Formula> (232)
C17H26ClN3O2S

>  <MolWeight> (232)
371.92524

>  <Item Name> (232)
Naratriptan HCl

>  <Catalog Number> (232)
S1488 

>  <Synonyms> (232)
Amerge, Naramig

>  <Target> (232)
5-HT Receptor

>  <Form> (232)
Hydrochloride

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

>  <CAS Number> (232)
143388-64-1

$$$$
AP24534.cdx
csChFnd80/07171813022D

 39 43  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (233)
368

>  <Formula> (233)
C29H27F3N6O

>  <MolWeight> (233)
532.5594896

>  <Item Name> (233)
Ponatinib (AP24534)

>  <Catalog Number> (233)
S1490

>  <Synonyms> (233)
N/A 

>  <Target> (233)
Bcr-Abl, VEGFR, FGFR, PDGFR, Flt

>  <Form> (233)
Free Base

>  <URL> (233)
http://www.selleckchem.com/products/AP24534.html

>  <CAS Number> (233)
943319-70-8

$$$$
Fludarabine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (234)
369

>  <Formula> (234)
C10H12FN5O4

>  <MolWeight> (234)
285.2317832

>  <Item Name> (234)
Fludarabine (Fludara)

>  <Catalog Number> (234)
S1491

>  <Synonyms> (234)
F-ara-A, NSC 118218 

>  <Target> (234)
STAT, DNA/RNA Synthesis

>  <Form> (234)
Free Base

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

>  <CAS Number> (234)
21679-14-1

$$$$
LY2228820.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (235)
370

>  <Formula> (235)
C26H37FN6O6S2

>  <MolWeight> (235)
612.7369832

>  <Item Name> (235)
LY2228820

>  <Catalog Number> (235)
S1494

>  <Synonyms> (235)
N/A

>  <Target> (235)
p38 MAPK

>  <Form> (235)
Dimesylate

>  <URL> (235)
http://www.selleckchem.com/products/LY2228820.html

>  <CAS Number> (235)
862507-23-1

$$$$
CELESTONE (betamethasone).cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (236)
372

>  <Formula> (236)
C22H29FO5

>  <MolWeight> (236)
392.4610632

>  <Item Name> (236)
Betamethasone (Celestone)

>  <Catalog Number> (236)
S1500

>  <Synonyms> (236)
Celestone, Betadexamethasone, Flubenisolone, Sch-4831, NCS-39470 

>  <Target> (236)
Glucocorticoid Receptor

>  <Form> (236)
Free Base

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

>  <CAS Number> (236)
378-44-9

$$$$
CELLCEPT (mycophenolate mofetil).cdx
csChFnd80/07171813022D

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 26 27  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
>  <Mol_ID> (237)
373

>  <Formula> (237)
C23H31NO7

>  <MolWeight> (237)
433.49474

>  <Item Name> (237)
Mycophenolate mofetil (CellCept)

>  <Catalog Number> (237)
S1501

>  <Synonyms> (237)
CellCept, RS 61443, TM-MMF

>  <Target> (237)
Dehydrogenase

>  <Form> (237)
Free Base

>  <URL> (237)
http://www.selleckchem.com/products/Mycophenolate-mofetil-(CellCept).html

>  <CAS Number> (237)
128794-94-5

$$$$
NEOTHYLLINE (dyphylline).cdx
csChFnd80/07171813022D

 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 N   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
    2.4207    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7622    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7622    3.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  2  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (238)
374

>  <Formula> (238)
C10H14N4O4

>  <MolWeight> (238)
254.24256

>  <Item Name> (238)
Dyphylline (Dilor)

>  <Catalog Number> (238)
S1504

>  <Synonyms> (238)
Neothylline, Lufyllin, diprophylline

>  <Target> (238)
PDE

>  <Form> (238)
Free Base

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

>  <CAS Number> (238)
479-18-5

$$$$
AZACTAM (aztreonam).cdx
csChFnd80/07171813022D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.5792    3.3765    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5792    1.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    1.9765    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9792    3.3765    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5927    4.3630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9657    0.9900    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9557    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4951    5.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.7794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6806    5.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    7.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    5.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9854   10.1420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4449    9.7503    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  1  1  0  0  0  0
  1  5  1  1  0  0  0
  4  6  1  6  0  0  0
  2  7  2  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
  8 11  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  5  1  0  0  0  0
 15 16  2  0  0  0  0
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 17 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 17  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (239)
375

>  <Formula> (239)
C13H17N5O8S2

>  <MolWeight> (239)
435.43278

>  <Item Name> (239)
Aztreonam (Azactam, Cayston)

>  <Catalog Number> (239)
S1505

>  <Synonyms> (239)
Monobactam, SQ 26776, Squibb 26776 

>  <Target> (239)
Antifection

>  <Form> (239)
Free Base

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

>  <CAS Number> (239)
78110-38-0

$$$$
ACEON (perindopril erbumine).cdx
csChFnd80/07171813022D

 33 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.1944    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    1.4944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9818    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1776    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0512    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9124    4.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5018    3.7917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7082    0.6890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0938    5.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3062    6.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8855    6.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0938    4.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3062    5.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
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 16 20  1  0  0  0  0
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 23 17  1  0  0  0  0
 19 24  1  6  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 17 27  1  1  0  0  0
 16 28  1  1  0  0  0
 29 30  1  0  0  0  0
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 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (240)
376

>  <Formula> (240)
C23H43N3O5

>  <MolWeight> (240)
441.60462

>  <Item Name> (240)
Perindopril Erbumine (Aceon)

>  <Catalog Number> (240)
S1506

>  <Synonyms> (240)
Perindopril, Coversyl

>  <Target> (240)
RAAS

>  <Form> (240)
t-Butylamine

>  <URL> (240)
http://www.selleckchem.com/products/Perindopril-Erbumine(Aceon).html

>  <CAS Number> (240)
107133-36-8

$$$$
IRBESARTAN (irbesartan).cdx
csChFnd80/07171813022D

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.8479    5.9887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8479    4.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0604    3.8887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0604    6.6887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4810    3.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6935    1.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9059    2.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9059    3.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6935    4.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0319    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0687    1.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7786    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (241)
377

>  <Formula> (241)
C25H28N6O

>  <MolWeight> (241)
428.52942

>  <Item Name> (241)
Irbesartan (Avapro)

>  <Catalog Number> (241)
S1507

>  <Synonyms> (241)
BMS-186295, SR-47436                                                                          

>  <Target> (241)
RAAS

>  <Form> (241)
Free Base

>  <URL> (241)
http://www.selleckchem.com/products/Irbesartan(Avapro).html

>  <CAS Number> (241)
138402-11-6

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/07171813022D

 23 25  0  0  0  0  0  0  0  0999 V2000
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    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (242)
378

>  <Formula> (242)
C16H18FN3O3

>  <MolWeight> (242)
319.3308232

>  <Item Name> (242)
Norfloxacin (Norxacin)

>  <Catalog Number> (242)
S1509

>  <Synonyms> (242)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (242)
Others

>  <Form> (242)
Free Base

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

>  <CAS Number> (242)
70458-96-7

$$$$
CIALIS (tadalafil).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (243)
379

>  <Formula> (243)
C22H19N3O4

>  <MolWeight> (243)
389.40396

>  <Item Name> (243)
Tadalafil (Cialis)

>  <Catalog Number> (243)
S1512

>  <Synonyms> (243)
IC 351

>  <Target> (243)
PDE

>  <Form> (243)
Free Base

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

>  <CAS Number> (243)
171596-29-5

$$$$
NEORAL (cyclosporine).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (244)
380

>  <Formula> (244)
C62H111N11O12

>  <MolWeight> (244)
1202.61124

>  <Item Name> (244)
Cyclosporine (Neoral)

>  <Catalog Number> (244)
S1514

>  <Synonyms> (244)
Sandimmune, Gengraf, Restasis, Atopica, Sangcya 

>  <Target> (244)
phosphatase

>  <Form> (244)
Free Base

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

>  <CAS Number> (244)
79217-60-0

$$$$
SB 939.cdx
csChFnd80/07171813022D

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HDAC

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Free Base

>  <URL> (245)
http://www.selleckchem.com/products/SB939.html

>  <CAS Number> (245)
929016-96-6

$$$$
Cidofovir .cdx
csChFnd80/07171813022D

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Vistide

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Others

>  <Form> (246)
Free Base

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

>  <CAS Number> (246)
113852-37-2

$$$$
NEOPROFEN (ibuprofen lysine).cdx
csChFnd80/07171813022D

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383

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C19H32N2O4

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Ibuprofen Lysine (NeoProfen)

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S1518

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NeoProfen

>  <Target> (247)
COX

>  <Form> (247)
Lysine

>  <URL> (247)
http://www.selleckchem.com/products/Ibuprofen-Lysine(Motrin).html

>  <CAS Number> (247)
57469-77-9

$$$$
XL-765.cdx
csChFnd80/07171813022D

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387

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XL765

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>  <Synonyms> (248)
N/A 

>  <Target> (248)
PI3K, mTOR

>  <Form> (248)
Free Base

>  <URL> (248)
http://www.selleckchem.com/products/XL765(SAR245409).html#

>  <CAS Number> (248)
1349796-36-6

$$$$
AC220.cdx
csChFnd80/07171813022D

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   21.3345    7.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (249)
390

>  <Formula> (249)
C29H32N6O4S

>  <MolWeight> (249)
560.66718

>  <Item Name> (249)
Quizartinib (AC220)

>  <Catalog Number> (249)
S1526

>  <Synonyms> (249)
N/A 

>  <Target> (249)
Flt

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/AC-220.html

>  <CAS Number> (249)
950769-58-1

$$$$
s4075.cdx
csChFnd80/07171813022D

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  2  3  2  0  0  0  0
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M  END
>  <Mol_ID> (250)
391

>  <Formula> (250)
C10H8N2O2S2Zn

>  <MolWeight> (250)
317.70272

>  <Item Name> (250)
Zinc Pyrithione

>  <Catalog Number> (250)
S4075

>  <Synonyms> (250)
N/A

>  <Target> (250)
Proton Pump

>  <Form> (250)
Free Base

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

>  <CAS Number> (250)
13463-41-7

$$$$
Milnacipran hydrochloride.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (251)
396

>  <Formula> (251)
C15H23ClN2O

>  <MolWeight> (251)
282.80892

>  <Item Name> (251)
Milnacipran HCl

>  <Catalog Number> (251)
S3140

>  <Synonyms> (251)
N/A

>  <Target> (251)
5-HT Receptor

>  <Form> (251)
HCl

>  <URL> (251)
http://www.selleckchem.com/products/milnacipran-hydrochloride.html

>  <CAS Number> (251)
101152-94-7

$$$$
Darifenacin hydrobromide.cdx
csChFnd80/07171813022D

 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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M  END
>  <Mol_ID> (252)
397

>  <Formula> (252)
C28H31BrN2O2

>  <MolWeight> (252)
507.46194

>  <Item Name> (252)
Darifenacin HBr

>  <Catalog Number> (252)
S3144

>  <Synonyms> (252)
N/A 

>  <Target> (252)
AChR

>  <Form> (252)
HBr

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

>  <CAS Number> (252)
133099-07-7

$$$$
Tripelennamine hydrochloride.cdx
csChFnd80/07171813022D

 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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M  END
>  <Mol_ID> (253)
398

>  <Formula> (253)
C16H22ClN3

>  <MolWeight> (253)
291.81898

>  <Item Name> (253)
Tripelennamine HCl

>  <Catalog Number> (253)
S3146

>  <Synonyms> (253)
N/A 

>  <Target> (253)
Histamine Receptor

>  <Form> (253)
HCl

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

>  <CAS Number> (253)
154-69-8

$$$$
Febuxostat.cdx
csChFnd80/07171813022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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Adenuric

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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

$$$$
Dapagliflozin (BMS-512148).cdx
csChFnd80/07171813022D

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SGLT 

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461432-26-8

$$$$
Pimobendan.cdx
csChFnd80/07171813022D

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406

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Acardi, pimobendane

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PDE

>  <Form> (256)
Free Base

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http://www.selleckchem.com/products/Pimobendan(Vetmedin).html

>  <CAS Number> (256)
74150-27-9

$$$$
ABELCET (amphotericin b).cdx
csChFnd80/07171813022D

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 55 56  1  0  0  0  0
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 59 60  1  0  0  0  0
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 55 67  1  1  0  0  0
M  END
>  <Mol_ID> (257)
407

>  <Formula> (257)
C47H73NO17

>  <MolWeight> (257)
924.07902

>  <Item Name> (257)
Amphotericin B

>  <Catalog Number> (257)
S1636

>  <Synonyms> (257)
N/A

>  <Target> (257)
Antifection

>  <Form> (257)
Free Base

>  <URL> (257)
http://www.selleckchem.com/products/Amphotericin-B(Abelcet).

>  <CAS Number> (257)
1397-89-3

$$$$
Azelastine hydrochloride.cdx
csChFnd80/07171813022D

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  4  7  1  0  0  0  0
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 26 12  1  0  0  0  0
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M  END
>  <Mol_ID> (258)
408

>  <Formula> (258)
C22H25Cl2N3O

>  <MolWeight> (258)
418.3594

>  <Item Name> (258)
Azelastine hydrochloride (Astelin)

>  <Catalog Number> (258)
S2552 

>  <Synonyms> (258)
Allergodil, Rhinolast, Astelin, Optilas, Optivar 

>  <Target> (258)
Histamine Receptor

>  <Form> (258)
Hydrochloride

>  <URL> (258)
http://www.selleckchem.com/products/Azelastine-hydrochloride-Astelin.html

>  <CAS Number> (258)
79307-93-0

$$$$
Clarithromycin.cdx
csChFnd80/07171813022D

 52 54  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (259)
409

>  <Formula> (259)
C38H69NO13

>  <MolWeight> (259)
747.95336

>  <Item Name> (259)
Clarithromycin (Biaxin, Klacid)

>  <Catalog Number> (259)
S2555

>  <Synonyms> (259)
Crixan, Klaricid, Klabax, Claripen, Clarem, Claridar, Fromilid, Clacid, Clacee, Vikrol, Infex, Clari 

>  <Target> (259)
P450

>  <Form> (259)
Free Base

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

>  <CAS Number> (259)
81103-11-9

$$$$
EX527.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (260)
411

>  <Formula> (260)
C13H13ClN2O

>  <MolWeight> (260)
248.70812

>  <Item Name> (260)
EX 527

>  <Catalog Number> (260)
S1541

>  <Synonyms> (260)
SEN0014196

>  <Target> (260)
Sirtuin

>  <Form> (260)
Free Base

>  <URL> (260)
http://www.selleckchem.com/products/EX-527.html

>  <CAS Number> (260)
49843-98-3

$$$$

csChFnd80/07171813022D

 47 52  0  0  0  0  0  0  0  0999 V2000
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413

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C28H38N12O6S

>  <MolWeight> (261)
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Abacavir sulfate

>  <Catalog Number> (261)
S3165

>  <Synonyms> (261)
N/A 

>  <Target> (261)
Reverse Transcriptase

>  <Form> (261)
Sulfate

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

>  <CAS Number> (261)
188062-50-2

$$$$
Amikacin hydrate.cdx
csChFnd80/07171813022D

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M  END
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414

>  <Formula> (262)
C22H45N5O14R

>  <MolWeight> (262)
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>  <Item Name> (262)
Amikacin hydrate

>  <Catalog Number> (262)
S3122

>  <Synonyms> (262)
N/A 

>  <Target> (262)
Antifection

>  <Form> (262)
Hydrate

>  <URL> (262)
http://www.selleckchem.com/products/amikacin-hydrate.html

>  <CAS Number> (262)
1257517-67-1

$$$$
Ampicillin sodium.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (263)
415

>  <Formula> (263)
C16H18N3NaO4S

>  <MolWeight> (263)
371.38659

>  <Item Name> (263)
Ampicillin sodium

>  <Catalog Number> (263)
S3170

>  <Synonyms> (263)
N/A 

>  <Target> (263)
Antifection

>  <Form> (263)
Sodium

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

>  <CAS Number> (263)
69-52-3

$$$$
VX-809.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (264)
419

>  <Formula> (264)
C24H18F2N2O5

>  <MolWeight> (264)
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>  <Item Name> (264)
VX-809 (Lumacaftor)

>  <Catalog Number> (264)
S1565

>  <Synonyms> (264)
VRT 826809

>  <Target> (264)
CFTR

>  <Form> (264)
Free Base

>  <URL> (264)
http://www.selleckchem.com/products/VX-809.html

>  <CAS Number> (264)
936727-05-8

$$$$
ALVESCO (ciclesonide).cdx
csChFnd80/07171813022D

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    5.9768    0.0388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    2.4595    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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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11  2  0  0  0  0
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 13 14  1  0  0  0  0
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 18 13  1  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
M  END
>  <Mol_ID> (265)
420

>  <Formula> (265)
C13H11N3O4

>  <MolWeight> (265)
273.24414

>  <Item Name> (265)
Pomalidomide

>  <Catalog Number> (265)
S1567

>  <Synonyms> (265)
CC-4047

>  <Target> (265)
TNF-alpha, COX

>  <Form> (265)
Free Base

>  <URL> (265)
http://www.selleckchem.com/products/Pomalidomide(CC-4047).html

>  <CAS Number> (265)
19171-19-8

$$$$
AVAGE (tazarotene).cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1029    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5197    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  3  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  3 20  1  0  0  0  0
 17 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
M  END
>  <Mol_ID> (266)
422

>  <Formula> (266)
C21H21NO2S

>  <MolWeight> (266)
351.46194

>  <Item Name> (266)
Tazarotene (Avage)

>  <Catalog Number> (266)
S1569

>  <Synonyms> (266)
Tazorac, Avage, Zora

>  <Target> (266)
Retinoid Receptor

>  <Form> (266)
Free Base

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

>  <CAS Number> (266)
118292-40-3

$$$$
Fasudil HCl.cdx
csChFnd80/07171813022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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    2.4249    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.9083    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
  2  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  3  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 15 16  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 12  1  0  0  0  0
M  END
>  <Mol_ID> (267)
426

>  <Formula> (267)
C14H18ClN3O2S

>  <MolWeight> (267)
327.82962

>  <Item Name> (267)
Fasudil HCl (HA-1077)

>  <Catalog Number> (267)
S1573

>  <Synonyms> (267)
AT-877 

>  <Target> (267)
ROCK

>  <Form> (267)
Hydrochloride

>  <URL> (267)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

>  <CAS Number> (267)
105628-07-7

$$$$
BIRB 796 (Doramapimod).cdx
csChFnd80/07171813022D

 39 43  0  0  0  0  0  0  0  0999 V2000
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    9.5160    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7285    3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9409    3.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  4  1  0  0  0  0
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 13 14  1  0  0  0  0
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 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
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 23 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 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 14 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 38 14  1  0  0  0  0
 31 39  1  0  0  0  0
M  END
>  <Mol_ID> (268)
427

>  <Formula> (268)
C31H37N5O3

>  <MolWeight> (268)
527.65718

>  <Item Name> (268)
BIRB 796 (Doramapimod)

>  <Catalog Number> (268)
S1574

>  <Synonyms> (268)
N/A

>  <Target> (268)
p38 MAPK

>  <Form> (268)
Free Base

>  <URL> (268)
http://www.selleckchem.com/products/BIRB-796-(Doramapimod).html

>  <CAS Number> (268)
285983-48-4

$$$$
Candesartan.cdx
csChFnd80/07171813022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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   10.0715    2.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2840    0.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (269)
430

>  <Formula> (269)
C24H20N6O3

>  <MolWeight> (269)
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Candesartan (Atacand)

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S1578

>  <Synonyms> (269)
Atacand, Blopress, Amias, Ratacand

>  <Target> (269)
RAAS

>  <Form> (269)
Free Base

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

>  <CAS Number> (269)
139481-59-7

$$$$
Altrenogest.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (270)
431

>  <Formula> (270)
C21H26O2

>  <MolWeight> (270)
310.42994

>  <Item Name> (270)
Altrenogest

>  <Catalog Number> (270)
S3167

>  <Synonyms> (270)
N/A 

>  <Target> (270)
Estrogen/progestogen Receptor

>  <Form> (270)
Free Base

>  <URL> (270)
http://www.selleckchem.com/products/altrenogest.html

>  <CAS Number> (270)
850-52-2

$$$$
Apixaban.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (271)
435

>  <Formula> (271)
C25H25N5O4

>  <MolWeight> (271)
459.4971

>  <Item Name> (271)
Apixaban

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S1593

>  <Synonyms> (271)
N/A

>  <Target> (271)
Factor Xa 

>  <Form> (271)
Free Base

>  <URL> (271)
http://www.selleckchem.com/products/Apixaban(BMS-562247-01).html

>  <CAS Number> (271)
503612-47-3

$$$$
Semagacestat.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (272)
436

>  <Formula> (272)
C19H27N3O4

>  <MolWeight> (272)
361.43538

>  <Item Name> (272)
Semagacestat (LY450139)

>  <Catalog Number> (272)
S1594

>  <Synonyms> (272)
LY-450139, LY450139

>  <Target> (272)
Gamma-secretase

>  <Form> (272)
Free Base

>  <URL> (272)
http://www.selleckchem.com/products/Semagacestat(LY450139).html

>  <CAS Number> (272)
425386-60-3

$$$$
Reserpine.cdx
csChFnd80/07171813022D

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 27 28  1  0  0  0  0
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M  END
>  <Mol_ID> (273)
438

>  <Formula> (273)
C33H40N2O9

>  <MolWeight> (273)
608.6787

>  <Item Name> (273)
Reserpine

>  <Catalog Number> (273)
S1601

>  <Synonyms> (273)
N/A

>  <Target> (273)
Others

>  <Form> (273)
Free Base

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

>  <CAS Number> (273)
50-55-5

$$$$
Furosemide.cdx
csChFnd80/07171813022D

 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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    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
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  8  9  1  0  0  0  0
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  3 11  1  0  0  0  0
  1 12  1  0  0  0  0
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 19 20  2  0  0  0  0
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 21  9  1  0  0  0  0
M  END
>  <Mol_ID> (274)
440

>  <Formula> (274)
C12H11ClN2O5S

>  <MolWeight> (274)
330.74414

>  <Item Name> (274)
Furosemide (Lasix)

>  <Catalog Number> (274)
S1603

>  <Synonyms> (274)
Lasix, Frusemide

>  <Target> (274)
Sodium Channel

>  <Form> (274)
Free Base

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

>  <CAS Number> (274)
54-31-9

$$$$
CEFDINIR (cefdinir).cdx
csChFnd80/07171813022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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   11.0528    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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   11.0528    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  8 14  2  0  0  0  0
  1 15  1  6  0  0  0
  7 16  1  6  0  0  0
  7 17  1  1  0  0  0
 17 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 19 22  2  0  0  0  0
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 27 21  2  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (275)
441

>  <Formula> (275)
C14H13N5O5S2

>  <MolWeight> (275)
395.41352

>  <Item Name> (275)
Cefdinir (Omnicef)

>  <Catalog Number> (275)
S1605

>  <Synonyms> (275)
FK-482, BMY-28488, PD 134393, CI-983 

>  <Target> (275)
Antifection

>  <Form> (275)
Free Base

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

>  <CAS Number> (275)
91832-40-5

$$$$
LOTRIMIN (clotrimazole).cdx
csChFnd80/07171813022D

 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
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  2  3  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13  8  1  0  0  0  0
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  9 25  1  0  0  0  0
M  END
>  <Mol_ID> (276)
442

>  <Formula> (276)
C22H17ClN2

>  <MolWeight> (276)
344.83678

>  <Item Name> (276)
Clotrimazole (Canesten)

>  <Catalog Number> (276)
S1606

>  <Synonyms> (276)
Lotrimin, Mycelex, Canesten

>  <Target> (276)
Antifection

>  <Form> (276)
Free Base

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

>  <CAS Number> (276)
23593-75-1

$$$$
MAXALT (rizatriptan benzoate).cdx
csChFnd80/07171813022D

 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
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    6.5839    5.8061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0801    3.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1169    2.4084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9930    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
M  END
>  <Mol_ID> (277)
443

>  <Formula> (277)
C22H25N5O2

>  <MolWeight> (277)
391.4662

>  <Item Name> (277)
Rizatriptan Benzoate (Maxalt)

>  <Catalog Number> (277)
S1607

>  <Synonyms> (277)
MK-462, Maxalt

>  <Target> (277)
NULL

>  <Form> (277)
Benzoate

>  <URL> (277)
http://www.selleckchem.com/products/Rizatriptan-Benzoate(Maxalt).html

>  <CAS Number> (277)
145202-66-0

$$$$
MESTINON (pyridostigmine bromide).cdx
csChFnd80/07171813022D

 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
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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> (278)
444

>  <Formula> (278)
C9H13BrN2O2

>  <MolWeight> (278)
261.11572

>  <Item Name> (278)
Pyridostigmine Bromide (Mestinon)

>  <Catalog Number> (278)
S1608

>  <Synonyms> (278)
N/A

>  <Target> (278)
AChR

>  <Form> (278)
Bromide

>  <URL> (278)
http://www.selleckchem.com/products/Pyridostigmine-Bromide(Mestinon).html

>  <CAS Number> (278)
101-26-8

$$$$
METHIMAZOLE (methimazole).cdx
csChFnd80/07171813022D

  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> (279)
445

>  <Formula> (279)
C4H6N2S

>  <MolWeight> (279)
114.16884

>  <Item Name> (279)
Methimazole (Tapazole, Northyx)

>  <Catalog Number> (279)
S1609

>  <Synonyms> (279)
Basolan, Metazolo, Thiamazole

>  <Target> (279)
Others

>  <Form> (279)
Free Base

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

>  <CAS Number> (279)
60-56-0

$$$$
METOLAZONE (metolazone).cdx
csChFnd80/07171813022D

 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> (280)
446

>  <Formula> (280)
C16H16ClN3O3S

>  <MolWeight> (280)
365.83454

>  <Item Name> (280)
Metolazone (Zaroxolyn)

>  <Catalog Number> (280)
S1610

>  <Synonyms> (280)
Mykrox, Zaroxolyn, Diulo

>  <Target> (280)
Others

>  <Form> (280)
Free Base

>  <URL> (280)
http://www.selleckchem.com/products/Metolazone(Zaroxolyn).html

>  <CAS Number> (280)
17560-51-9

$$$$
MIFEPREX (mifepristone).cdx
csChFnd80/07171813022D

 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> (281)
447

>  <Formula> (281)
C29H35NO2

>  <MolWeight> (281)
429.5937

>  <Item Name> (281)
Mifepristone (Mifeprex)

>  <Catalog Number> (281)
S2606

>  <Synonyms> (281)
RU-486, Mifegyne 

>  <Target> (281)
Estrogen/progestogen Receptor

>  <Form> (281)
Free Base

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

>  <CAS Number> (281)
84371-65-3

$$$$
RILUZOLE (riluzole).cdx
csChFnd80/07171813022D

 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> (282)
448

>  <Formula> (282)
C8H5F3N2OS

>  <MolWeight> (282)
234.1983096

>  <Item Name> (282)
Riluzole (Rilutek)

>  <Catalog Number> (282)
S1614

>  <Synonyms> (282)
PK-26124, RP-54274, Rilutek

>  <Target> (282)
Sodium Channel

>  <Form> (282)
Free Base

>  <URL> (282)
http://www.selleckchem.com/products/Riluzole(Rilutek).html

>  <CAS Number> (282)
1744-22-5

$$$$
RISPERIDONE (risperidone).cdx
csChFnd80/07171813022D

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.6402    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    6.5785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4900    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8526    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1035    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3647    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1251    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
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  2 13  1  0  0  0  0
 13 14  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
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
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M  END
>  <Mol_ID> (283)
449

>  <Formula> (283)
C23H27FN4O2

>  <MolWeight> (283)
410.4844832

>  <Item Name> (283)
Risperidone (Risperdal)

>  <Catalog Number> (283)
S1615

>  <Synonyms> (283)
R 64 766, Risperdal

>  <Target> (283)
5-HT Receptor

>  <Form> (283)
Free Base

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

>  <CAS Number> (283)
106266-06-2

$$$$
Artemether.cdx
csChFnd80/07171813022D

 24 27  0  0  0  0  0  0  0  0999 V2000
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    2.0026    7.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5799    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4620    7.8729    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
  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  2  1  0  0  0  0
  6 12  1  6  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  3  1  0  0  0  0
  3 16  1  6  0  0  0
  9 17  1  0  0  0  0
  2 18  1  6  0  0  0
 17 18  1  0  0  0  0
  9 19  1  1  0  0  0
 11 20  1  1  0  0  0
 15 21  1  1  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
  1 24  1  6  0  0  0
M  END
>  <Mol_ID> (284)
450

>  <Formula> (284)
C16H26O5

>  <MolWeight> (284)
298.37464

>  <Item Name> (284)
Artemether

>  <Catalog Number> (284)
S2264

>  <Synonyms> (284)
SM-224, CGP 56696

>  <Target> (284)
Antifection

>  <Form> (284)
Free Base

>  <URL> (284)
http://www.selleckchem.com/products/Artemether(SM-224).html

>  <CAS Number> (284)
71963-77-4

$$$$
SULLA (sulfameter).cdx
csChFnd80/07171813022D

 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
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   11.6447    1.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  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
 12 13  2  0  0  0  0
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 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 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> (285)
451

>  <Formula> (285)
C11H12N4O3S

>  <MolWeight> (285)
280.30298

>  <Item Name> (285)
Sulfameter (Bayrena)

>  <Catalog Number> (285)
S1618

>  <Synonyms> (285)
Sulfamethoxydiazine, Sulfametin, Sulfametorine, Sulfamethoxine, AHR-857, Berlicid 

>  <Target> (285)
DHFR

>  <Form> (285)
Free Base

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

>  <CAS Number> (285)
651-06-9

$$$$
Prilocaine.cdx
csChFnd80/07171813022D

 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
    7.2831    2.1073    0.0000 N   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> (286)
452

>  <Formula> (286)
C13H20N2O

>  <MolWeight> (286)
220.3107

>  <Item Name> (286)
Prilocaine

>  <Catalog Number> (286)
S1619

>  <Synonyms> (286)
N/A

>  <Target> (286)
Sodium Channel

>  <Form> (286)
Free Base

>  <URL> (286)
http://www.selleckchem.com/products/Prilocaine.html

>  <CAS Number> (286)
721-50-6

$$$$
FERNISONE (prednisone).cdx
csChFnd80/07171813022D

 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
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    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 14 21  2  0  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> (287)
453

>  <Formula> (287)
C21H26O5

>  <MolWeight> (287)
358.42814

>  <Item Name> (287)
Prednisone (Adasone)

>  <Catalog Number> (287)
S1622

>  <Synonyms> (287)
Deltasone, Liquid Pred, Orasone, Adasone

>  <Target> (287)
Glucocorticoid Receptor

>  <Form> (287)
Free Base

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

>  <CAS Number> (287)
53-03-2

$$$$
ACETADOTE (acetylcysteine).cdx
csChFnd80/07171813022D

 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
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  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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  1 10  2  0  0  0  0
  4 11  1  6  0  0  0
M  END
>  <Mol_ID> (288)
454

>  <Formula> (288)
C5H9NO3S

>  <MolWeight> (288)
163.19486

>  <Item Name> (288)
Acetylcysteine

>  <Catalog Number> (288)
S1623

>  <Synonyms> (288)
N-acetylcysteine, N-acetyl-L-cysteine, NAC, A

>  <Target> (288)
AChR

>  <Form> (288)
Free Base

>  <URL> (288)
http://www.selleckchem.com/products/Acetylcysteine.html

>  <CAS Number> (288)
616-91-1

$$$$
ALENDRONATE SODIUM (alendronate sodium).cdx
csChFnd80/07171813022D

 18 13  0  0  0  0  0  0  0  0999 V2000
    2.8316    3.0899    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.0440    2.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2565    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647    2.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6729    1.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8811    2.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8215    4.0799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    3.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.4064    1.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0541    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0641    0.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0340    3.3799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5833   26.2775    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6686   12.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686   11.1658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (289)
455

>  <Formula> (289)
C4H19NNaO10P2

>  <MolWeight> (289)
326.131652

>  <Item Name> (289)
Alendronate sodium trihydrate

>  <Catalog Number> (289)
S1624

>  <Synonyms> (289)
N/A

>  <Target> (289)
Others

>  <Form> (289)
Sodium Salt

>  <URL> (289)
http://www.selleckchem.com/products/Alendronate-Sodium(Fosamax).html

>  <CAS Number> (289)
121268-17-5

$$$$
ALESSE (ethinyl estradiol).cdx
csChFnd80/07171813022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6019    6.0326    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
  4  5  1  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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 11 12  1  0  0  0  0
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 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  1  0  0  0  0
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 12 20  1  1  0  0  0
 17 21  1  1  0  0  0
 10 22  1  6  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> (290)
456

>  <Formula> (290)
C20H24O2

>  <MolWeight> (290)
296.40336

>  <Item Name> (290)
Ethinyl Estradiol

>  <Catalog Number> (290)
S1625

>  <Synonyms> (290)
Ethynylestradiol

>  <Target> (290)
Estrogen/progestogen Receptor

>  <Form> (290)
Free Base

>  <URL> (290)
http://www.selleckchem.com/products/Ethinyl-Estradiol.html

>  <CAS Number> (290)
57-63-6

$$$$
Naproxen sodium.cdx
csChFnd80/07171813022D

 18 18  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
    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
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 14 17  2  0  0  0  0
 13 18  1  6  0  0  0
M  END
>  <Mol_ID> (291)
457

>  <Formula> (291)
C14H13NaO3

>  <MolWeight> (291)
252.24099

>  <Item Name> (291)
Naproxen Sodium

>  <Catalog Number> (291)
S1626

>  <Synonyms> (291)
Anaprox, Naprelan 

>  <Target> (291)
COX

>  <Form> (291)
Sodium Salt

>  <URL> (291)
http://www.selleckchem.com/products/Naproxen-Sodium(Aleve).html

>  <CAS Number> (291)
26159-34-2

$$$$
ALINIA (nitazoxanide).cdx
csChFnd80/07171813022D

 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
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    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
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M  END
>  <Mol_ID> (292)
458

>  <Formula> (292)
C12H9N3O5S

>  <MolWeight> (292)
307.28196

>  <Item Name> (292)
Nitazoxanide (Alinia, Annita)

>  <Catalog Number> (292)
S1627

>  <Synonyms> (292)
Daxon, Dexidex, Kidonax, Pacovanton, Paramix, Nitax, Zox, Nitazox, Toza

>  <Target> (292)
Others

>  <Form> (292)
Free Base

>  <URL> (292)
http://www.selleckchem.com/products/Nitazoxanide(Alinia).html

>  <CAS Number> (292)
55981-09-4

$$$$
ALLERNAZE (triamcinolone acetonide).cdx
csChFnd80/07171813022D

 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
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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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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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  5 19  1  1  0  0  0
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 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
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 11 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 31 32  1  0  0  0  0
 23 33  2  0  0  0  0
M  END
>  <Mol_ID> (293)
459

>  <Formula> (293)
C24H31FO6

>  <MolWeight> (293)
434.4977432

>  <Item Name> (293)
Triamcinolone Acetonide

>  <Catalog Number> (293)
S1628

>  <Synonyms> (293)
Azmacort

>  <Target> (293)
Glucocorticoid Receptor

>  <Form> (293)
Free Base

>  <URL> (293)
http://www.selleckchem.com/products/Triamcinolone-Acetonide.html

>  <CAS Number> (293)
76-25-5 

$$$$
ALLI (orlistat).cdx
csChFnd80/07171813022D

 35 35  0  0  0  0  0  0  0  0999 V2000
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    2.3422    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3471   13.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7094   14.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7638    3.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1161    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4785    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1061    3.0669    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4015    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7437    1.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4583    3.4293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4483    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8006    2.8017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  1  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  6  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  1  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
>  <Mol_ID> (294)
460

>  <Formula> (294)
C29H53NO5

>  <MolWeight> (294)
495.73482

>  <Item Name> (294)
Orlistat (Alli, Xenical)

>  <Catalog Number> (294)
S1629

>  <Synonyms> (294)
Tetrahydrolipstatin

>  <Target> (294)
Lipase

>  <Form> (294)
Free Base

>  <URL> (294)
http://www.selleckchem.com/products/Orlistat(Alli).html

>  <CAS Number> (294)
96829-58-2

$$$$
ALLOPURINOL (allopurinol).cdx
csChFnd80/07171813022D

 10 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  6 10  2  0  0  0  0
M  END
>  <Mol_ID> (295)
461

>  <Formula> (295)
C5H4N4O

>  <MolWeight> (295)
136.11146

>  <Item Name> (295)
Allopurinol (Zyloprim)

>  <Catalog Number> (295)
S1630

>  <Synonyms> (295)
Aloprim

>  <Target> (295)
Others

>  <Form> (295)
Free Base

>  <URL> (295)
http://www.selleckchem.com/products/Allopurinol(Zyloprim).html

>  <CAS Number> (295)
315-30-0

$$$$
ALOPRIM (allopurinol sodium).cdx
csChFnd80/07171813022D

 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> (296)
462

>  <Formula> (296)
C5H4N4NaO+

>  <MolWeight> (296)
159.10123

>  <Item Name> (296)
Allopurinol Sodium (Aloprim)

>  <Catalog Number> (296)
S1631

>  <Synonyms> (296)
 Lopurin, Zyloprim, Aloprim

>  <Target> (296)
Others

>  <Form> (296)
Sodium Salt

>  <URL> (296)
http://www.selleckchem.com/products/Allopurinol-Sodium(Aloprim).html

>  <CAS Number> (296)
17795-21-0

$$$$
ACCOLATE (zafirlukast).cdx
csChFnd80/07171813022D

 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> (297)
463

>  <Formula> (297)
C31H33N3O6S

>  <MolWeight> (297)
575.67522

>  <Item Name> (297)
Zafirlukast (Accolate)

>  <Catalog Number> (297)
S1633

>  <Synonyms> (297)
Accolate, Accoleit, Vanticon

>  <Target> (297)
LTR

>  <Form> (297)
Free Base

>  <URL> (297)
http://www.selleckchem.com/products/Zafirlukast(Accolate).html

>  <CAS Number> (297)
107753-78-6

$$$$
Oxacillin sodium monohydrate.cdx
csChFnd80/07171813022D

 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> (298)
464

>  <Formula> (298)
C19H20N3NaO6S

>  <MolWeight> (298)
441.43337

>  <Item Name> (298)
Oxacillin sodium monohydrate

>  <Catalog Number> (298)
S2563

>  <Synonyms> (298)
N/A

>  <Target> (298)
Antifection

>  <Form> (298)
Sodium Salt & hydrate

>  <URL> (298)
http://www.selleckchem.com/products/Oxacillin-sodium-monohydrate.html

>  <CAS Number> (298)
7240-38-2

$$$$
ACHES-N-PAIN (ibuprofen).cdx
csChFnd80/07171813022D

 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
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  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> (299)
466

>  <Formula> (299)
C13H18O2

>  <MolWeight> (299)
206.28082

>  <Item Name> (299)
Ibuprofen (Advil)

>  <Catalog Number> (299)
S1638

>  <Synonyms> (299)
Brufen, Nurofen, Motrin 

>  <Target> (299)
COX

>  <Form> (299)
Free Base

>  <URL> (299)
http://www.selleckchem.com/products/Ibuprofen(Advil).html

>  <CAS Number> (299)
15687-27-1

$$$$
ALBENZA (albendazole).cdx
csChFnd80/07171813022D

 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
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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
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  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> (300)
467

>  <Formula> (300)
C12H15N3O2S

>  <MolWeight> (300)
265.3314

>  <Item Name> (300)
Albendazole (Albenza)

>  <Catalog Number> (300)
S1640

>  <Synonyms> (300)
Albenza, Eskazole, Zentel, Andazol 

>  <Target> (300)
Microtubule Associated

>  <Form> (300)
Free Base

>  <URL> (300)
http://www.selleckchem.com/products/Albendazole(Albenza).html

>  <CAS Number> (300)
54965-21-8

$$$$
ALDOCLOR-250 (chlorothiazide).cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0100    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2149    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  2  0  0  0  0
  7 16  2  0  0  0  0
  7 17  2  0  0  0  0
M  END
>  <Mol_ID> (301)
468

>  <Formula> (301)
C7H6ClN3O4S2

>  <MolWeight> (301)
295.72324

>  <Item Name> (301)
Chlorothiazide

>  <Catalog Number> (301)
S1641

>  <Synonyms> (301)
Diuril, Chlotride

>  <Target> (301)
Others

>  <Form> (301)
Free Base

>  <URL> (301)
http://www.selleckchem.com/products/Chlorothiazide(Diuril).html

>  <CAS Number> (301)
58-94-6

$$$$
ALDOMET (methyldopa).cdx
csChFnd80/07171813022D

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.7073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3682    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 10 15  1  6  0  0  0
M  END
>  <Mol_ID> (302)
469

>  <Formula> (302)
C10H13NO4

>  <MolWeight> (302)
211.21452

>  <Item Name> (302)
Methyldopa (Aldomet)

>  <Catalog Number> (302)
S1642

>  <Synonyms> (302)
Aldoril 

>  <Target> (302)
Others

>  <Form> (302)
Free Base

>  <URL> (302)
http://www.selleckchem.com/products/Methyldopa(Aldomet).html

>  <CAS Number> (302)
555-30-6

$$$$
ACTIGALL (ursodiol).cdx
csChFnd80/07171813022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    5.3326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    6.6595    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0431    7.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3896    6.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3500    5.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7065    6.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6669    5.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1028    7.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    5.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  5 18  1  1  0  0  0
  4 19  1  1  0  0  0
  8 20  1  1  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
  2 24  1  6  0  0  0
 10 25  1  6  0  0  0
 11 26  1  6  0  0  0
 23 27  1  6  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 17 23  1  0  0  0  0
 17 33  1  6  0  0  0
M  END
>  <Mol_ID> (303)
470

>  <Formula> (303)
C24H40O4

>  <MolWeight> (303)
392.572

>  <Item Name> (303)
Ursodiol (Actigal Urso)

>  <Catalog Number> (303)
S1643

>  <Synonyms> (303)
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv 

>  <Target> (303)
Others

>  <Form> (303)
Free Base

>  <URL> (303)
http://www.selleckchem.com/products/Ursodiol(Actigal).html

>  <CAS Number> (303)
128-13-2

$$$$
ACTIN-N (nitrofurazone).cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3950    2.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    1.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6650    2.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5732    3.4916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    3.2282    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0173    2.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    1.9799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3596    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3495    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7018    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9872    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3471    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8690    4.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  2  0  0  0  0
M  END
>  <Mol_ID> (304)
471

>  <Formula> (304)
C6H6N4O4

>  <MolWeight> (304)
198.13624

>  <Item Name> (304)
Nitrofurazone (Nitrofural)

>  <Catalog Number> (304)
S1644

>  <Synonyms> (304)
Nitrofural, Furacilin, ACTIN-N, Otofuran 

>  <Target> (304)
Antifection

>  <Form> (304)
Free Base

>  <URL> (304)
http://www.selleckchem.com/products/Nitrofurazone(ACTIN-N).html

>  <CAS Number> (304)
59-87-0

$$$$
ACTRON (ketoprofen).cdx
csChFnd80/07171813022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (305)
472

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C16H14O3

>  <MolWeight> (305)
254.28056

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Ketoprofen (Actron)

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S1645

>  <Synonyms> (305)
Orudis, Oruvail 

>  <Target> (305)
COX

>  <Form> (305)
Free Base

>  <URL> (305)
http://www.selleckchem.com/products/Ketoprofen(Actron).html

>  <CAS Number> (305)
22071-15-4

$$$$
Adenosine.cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (306)
473

>  <Formula> (306)
C10H13N5O4

>  <MolWeight> (306)
267.24132

>  <Item Name> (306)
Adenosine (Adenocard)

>  <Catalog Number> (306)
S1647

>  <Synonyms> (306)
Adenocard

>  <Target> (306)
Others

>  <Form> (306)
Free Base

>  <URL> (306)
http://www.selleckchem.com/products/Adenosine(Adenocard).html

>  <CAS Number> (306)
58-61-7

$$$$
Artemisinin.cdx
csChFnd80/07171813022D

 23 26  0  0  0  0  0  0  0  0999 V2000
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 11  5  1  0  0  0  0
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M  END
>  <Mol_ID> (307)
474

>  <Formula> (307)
C15H22O5

>  <MolWeight> (307)
282.33218

>  <Item Name> (307)
Artemisinin

>  <Catalog Number> (307)
S1282

>  <Synonyms> (307)
Qinghaosu

>  <Target> (307)
Antifection

>  <Form> (307)
Free Base

>  <URL> (307)
http://www.selleckchem.com/products/Artemisinin.html

>  <CAS Number> (307)
63968-64-9

$$$$
Artesunate.cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (308)
475

>  <Formula> (308)
C19H28O8

>  <MolWeight> (308)
384.42082

>  <Item Name> (308)
Artesunate

>  <Catalog Number> (308)
S2265

>  <Synonyms> (308)
N/A

>  <Target> (308)
STAT

>  <Form> (308)
Free Base

>  <URL> (308)
http://www.selleckchem.com/products/Artesunate.html

>  <CAS Number> (308)
88495-63-0

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (309)
477

>  <Formula> (309)
C9H13N3O5

>  <MolWeight> (309)
243.21662

>  <Item Name> (309)
Cytarabine

>  <Catalog Number> (309)
S1648

>  <Synonyms> (309)
N/A 

>  <Target> (309)
Others

>  <Form> (309)
Free Base

>  <URL> (309)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

>  <CAS Number> (309)
147-94-4

$$$$
ZOMIG (zolmitriptan).cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (310)
478

>  <Formula> (310)
C16H21N3O2

>  <MolWeight> (310)
287.35684

>  <Item Name> (310)
Zolmitriptan (Zomig)

>  <Catalog Number> (310)
S1649

>  <Synonyms> (310)
Zomig, Zomigon, AscoTopand, Zomigoro 

>  <Target> (310)
5-HT Receptor

>  <Form> (310)
Free Base

>  <URL> (310)
http://www.selleckchem.com/products/Zolmitriptan(Zomig).html

>  <CAS Number> (310)
139264-17-8

$$$$
TYZEKA (telbivudine).cdx
csChFnd80/07171813022D

 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> (311)
479

>  <Formula> (311)
C10H14N2O5

>  <MolWeight> (311)
242.22856

>  <Item Name> (311)
Telbivudine (Sebivo, Tyzeka)

>  <Catalog Number> (311)
S1651

>  <Synonyms> (311)
N/A

>  <Target> (311)
Reverse Transcriptase

>  <Form> (311)
Free Base

>  <URL> (311)
http://www.selleckchem.com/products/Telbivudine(Sebivo).html

>  <CAS Number> (311)
3424-98-4

$$$$
BENOQUIN (monobenzone).cdx
csChFnd80/07171813022D

 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> (312)
480

>  <Formula> (312)
C13H12O2

>  <MolWeight> (312)
200.23318

>  <Item Name> (312)
Monobenzone (Benoquin)

>  <Catalog Number> (312)
S1652

>  <Synonyms> (312)
Benoquin

>  <Target> (312)
Tyrosinase

>  <Form> (312)
Free Base

>  <URL> (312)
http://www.selleckchem.com/products/Monobenzone(Benoquin).html

>  <CAS Number> (312)
103-16-2

$$$$
ATRALIN (tretinoin).cdx
csChFnd80/07171813022D

 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> (313)
481

>  <Formula> (313)
C20H28O2

>  <MolWeight> (313)
300.43512

>  <Item Name> (313)
All-trans Retinoic Acid (Tretinoin)

>  <Catalog Number> (313)
S1653

>  <Synonyms> (313)
Vesanoid, Airol, Renova, Atralin, Retin-A, Avita, Stieva-A, all-trans retinoic acid

>  <Target> (313)
Retinoid Receptor

>  <Form> (313)
Free Base

>  <URL> (313)
http://www.selleckchem.com/products/Tretinoin(Aberela).html

>  <CAS Number> (313)
302-79-4

$$$$
AZOLID (phenylbutazone).cdx
csChFnd80/07171813022D

 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> (314)
482

>  <Formula> (314)
C19H20N2O2

>  <MolWeight> (314)
308.3743

>  <Item Name> (314)
Phenylbutazone (Butazolidin, Butatron)

>  <Catalog Number> (314)
S1654

>  <Synonyms> (314)
Bute, Butazolidin, Butatron 

>  <Target> (314)
COX

>  <Form> (314)
Free Base

>  <URL> (314)
http://www.selleckchem.com/products/Phenylbutazone(Butazolidin).html

>  <CAS Number> (314)
50-33-9

$$$$
EZETIMIBE (ezetimibe).cdx
csChFnd80/07171813022D

 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> (315)
483

>  <Formula> (315)
C24H21F2NO3

>  <MolWeight> (315)
409.4252464

>  <Item Name> (315)
Ezetimibe (Zetia)

>  <Catalog Number> (315)
S1655

>  <Synonyms> (315)
Zetia, Ezetrol

>  <Target> (315)
Others

>  <Form> (315)
Free Base

>  <URL> (315)
http://www.selleckchem.com/products/Ezetimibe(Zetia).html

>  <CAS Number> (315)
163222-33-1

$$$$
TIKOSYN (dofetilide).cdx
csChFnd80/07171813022D

 29 30  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2183    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3527    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6527    2.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3426    3.2052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
>  <Mol_ID> (316)
484

>  <Formula> (316)
C19H27N3O5S2

>  <MolWeight> (316)
441.56478

>  <Item Name> (316)
Dofetilide (Tikosyn)

>  <Catalog Number> (316)
S1658

>  <Synonyms> (316)
Tikosyn, UK68798

>  <Target> (316)
Potassium Channel

>  <Form> (316)
Free Base

>  <URL> (316)
http://www.selleckchem.com/products/Dofetilide(Tikosyn).html

>  <CAS Number> (316)
115256-11-6

$$$$
DYNACIRC (isradipine).cdx
csChFnd80/07171813022D

 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> (317)
485

>  <Formula> (317)
C19H21N3O5

>  <MolWeight> (317)
371.38714

>  <Item Name> (317)
Isradipine (Dynacirc)

>  <Catalog Number> (317)
S1662

>  <Synonyms> (317)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin 

>  <Target> (317)
Calcium Channel

>  <Form> (317)
Free Base

>  <URL> (317)
http://www.selleckchem.com/products/Isradipine(Dynacirc).html

>  <CAS Number> (317)
75695-93-1

$$$$
ESTROGENIC SUBSTANCE (estrone).cdx
csChFnd80/07171813022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  2  0  0  0  0
M  END
>  <Mol_ID> (318)
486

>  <Formula> (318)
C18H22O2

>  <MolWeight> (318)
270.36608

>  <Item Name> (318)
Estrone

>  <Catalog Number> (318)
S1665

>  <Synonyms> (318)
Oestrone

>  <Target> (318)
Estrogen/progestogen Receptor

>  <Form> (318)
Free Base

>  <URL> (318)
http://www.selleckchem.com/products/Estrone.html

>  <CAS Number> (318)
53-16-7 

$$$$
ANCOBON (flucytosine).cdx
csChFnd80/07171813022D

  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> (319)
487

>  <Formula> (319)
C4H4FN3O

>  <MolWeight> (319)
129.0924632

>  <Item Name> (319)
Flucytosine (Ancobon)

>  <Catalog Number> (319)
S1666

>  <Synonyms> (319)
5-fluorocytosine, Ancotil

>  <Target> (319)
Antifection

>  <Form> (319)
Free Base

>  <URL> (319)
http://www.selleckchem.com/products/Flucytosine(Ancobon).html

>  <CAS Number> (319)
2022-85-7

$$$$
ALREX (loteprednol etabonate).cdx
csChFnd80/07171813022D

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5918    5.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9441    5.2602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9306    6.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    5.8857    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2307    6.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8872    6.3473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8973    5.3573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5114    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1503   10.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 23  2  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 12 26  1  1  0  0  0
 14 27  1  1  0  0  0
 10 28  1  6  0  0  0
 11 29  1  6  0  0  0
 17 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (320)
488

>  <Formula> (320)
C24H31ClO7

>  <MolWeight> (320)
466.95174

>  <Item Name> (320)
Loteprednol etabonate

>  <Catalog Number> (320)
S1669

>  <Synonyms> (320)
Alrex, Lotemax

>  <Target> (320)
Glucocorticoid Receptor

>  <Form> (320)
Free Base

>  <URL> (320)
http://www.selleckchem.com/products/Loteprednol-etabonate.html

>  <CAS Number> (320)
82034-46-6

$$$$
AMINOCAPROIC ACID (aminocaproic acid).cdx
csChFnd80/07171813022D

  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> (321)
489

>  <Formula> (321)
C6H13NO2

>  <MolWeight> (321)
131.17292

>  <Item Name> (321)
£¨6-£©¦Å-Aminocaproic acid 

>  <Catalog Number> (321)
S1671

>  <Synonyms> (321)
Amicar, ¦Å-amino caproic acid, ¦Å-Ahx, 6-aminohexanoic acid

>  <Target> (321)
Others

>  <Form> (321)
Free Base

>  <URL> (321)
http://www.selleckchem.com/products/Aminocaproic-acid(Amicar).html

>  <CAS Number> (321)
60-32-2

$$$$
Pregnenolone.cdx
csChFnd80/07171813022D

 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
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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
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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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   10.3977    6.2495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  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> (322)
490

>  <Formula> (322)
C21H32O2

>  <MolWeight> (322)
316.47758

>  <Item Name> (322)
Pregnenolone

>  <Catalog Number> (322)
S1914

>  <Synonyms> (322)
N/A

>  <Target> (322)
Estrogen/progestogen Receptor

>  <Form> (322)
Free Base

>  <URL> (322)
http://www.selleckchem.com/products/pregnenolone.html

>  <CAS Number> (322)
145-13-1

$$$$
AMINOPHYLLINE (aminophylline).cdx
csChFnd80/07171813022D

 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
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    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
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    2.6805    2.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (323)
491

>  <Formula> (323)
C16H24N10O4

>  <MolWeight> (323)
420.42636

>  <Item Name> (323)
Aminophylline (Truphylline)

>  <Catalog Number> (323)
S1673

>  <Synonyms> (323)
Somopphyllin, Aminocadol, Phyllocontin 

>  <Target> (323)
PDE

>  <Form> (323)
Ethylenediamine

>  <URL> (323)
http://www.selleckchem.com/products/Aminophylline(Truphylline).html

>  <CAS Number> (323)
317-34-0 

$$$$
Amorolfine Hydrochloride.cdx
csChFnd80/07171813022D

 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
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   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
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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  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> (324)
492

>  <Formula> (324)
C21H36ClNO

>  <MolWeight> (324)
353.96964

>  <Item Name> (324)
Amorolfine Hydrochloride

>  <Catalog Number> (324)
S1676

>  <Synonyms> (324)
Amorolfin, Curanail, Loceryl, Locetar, Odenil 

>  <Target> (324)
Antifection

>  <Form> (324)
Hydrochloride

>  <URL> (324)
http://www.selleckchem.com/products/Amorolfine-Hydrochloride.html

>  <CAS Number> (324)
78613-38-4

$$$$
AMPHICOL (chloramphenicol).cdx
csChFnd80/07171813022D

 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
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    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
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  2  3  1  0  0  0  0
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  7  9  1  0  0  0  0
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 10 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 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> (325)
493

>  <Formula> (325)
C11H12Cl2N2O5

>  <MolWeight> (325)
323.12938

>  <Item Name> (325)
Chloramphenicol (Chloromycetin)

>  <Catalog Number> (325)
S1677

>  <Synonyms> (325)
Alficetyn, Chlornitromycin, Chloromycetin 

>  <Target> (325)
Antifection

>  <Form> (325)
Free Base

>  <URL> (325)
http://www.selleckchem.com/products/Chloramphenicol(Chloromycetin).html

>  <CAS Number> (325)
56-75-7

$$$$
ANTABUSE (disulfiram).cdx
csChFnd80/07171813022D

 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
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    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
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  4  5  1  0  0  0  0
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  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> (326)
494

>  <Formula> (326)
C10H20N2S4

>  <MolWeight> (326)
296.5392

>  <Item Name> (326)
Disulfiram (Antabuse)

>  <Catalog Number> (326)
S1680

>  <Synonyms> (326)
Antabuse, Antabus

>  <Target> (326)
Dehydrogenase

>  <Form> (326)
Free Base

>  <URL> (326)
http://www.selleckchem.com/products/Disulfiram(Antabuse).html

>  <CAS Number> (326)
97-77-8

$$$$
APRISO (mesalamine).cdx
csChFnd80/07171813022D

 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> (327)
495

>  <Formula> (327)
C7H7NO3

>  <MolWeight> (327)
153.13538

>  <Item Name> (327)
Mesalamine (Lialda)

>  <Catalog Number> (327)
S1681

>  <Synonyms> (327)
Apriso, 5-aminosalicylic acid, Mesalazine, Asacol, Pentasa, Canasa 

>  <Target> (327)
I¦ÊB/IKK

>  <Form> (327)
Free Base

>  <URL> (327)
http://www.selleckchem.com/products/Mesalamine(Lialda).html

>  <CAS Number> (327)
89-57-6

$$$$
ATROVENT HFA (ipratropium bromide).cdx
csChFnd80/07171813022D

 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> (328)
496

>  <Formula> (328)
C20H30BrNO3

>  <MolWeight> (328)
412.3611

>  <Item Name> (328)
Ipratropium bromide

>  <Catalog Number> (328)
S1683

>  <Synonyms> (328)
Atrovent, Apovent, Aerovent

>  <Target> (328)
AChR

>  <Form> (328)
Bromide

>  <URL> (328)
http://www.selleckchem.com/products/Ipratropium-bromide.html

>  <CAS Number> (328)
22254-24-6

$$$$
BETAMETHASONE DIPROPIONATE (betamethasone dipropionate).cdx
csChFnd80/07171813022D

 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
    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
   11.5636    7.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9112    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    8.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    8.9479    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
  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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 17 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 10 37  1  6  0  0  0
 11 38  1  6  0  0  0
M  END
>  <Mol_ID> (329)
497

>  <Formula> (329)
C28H37FO7

>  <MolWeight> (329)
504.5875832

>  <Item Name> (329)
Betamethasone Dipropionate (Diprolene)

>  <Catalog Number> (329)
S1688

>  <Synonyms> (329)
Diprospan, Diprolene, Diprosone, Diprolene AF 

>  <Target> (329)
Glucocorticoid Receptor

>  <Form> (329)
Free Base

>  <URL> (329)
http://www.selleckchem.com/products/Betamethasone-Dipropionate(Diprolene).html

>  <CAS Number> (329)
5593-20-4

$$$$
BETAPAR (meprednisone).cdx
csChFnd80/07171813022D

 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> (330)
498

>  <Formula> (330)
C22H28O5

>  <MolWeight> (330)
372.45472

>  <Item Name> (330)
Betapar (Meprednisone)

>  <Catalog Number> (330)
S1689

>  <Synonyms> (330)
Betanisona

>  <Target> (330)
Glucocorticoid Receptor

>  <Form> (330)
Free Base

>  <URL> (330)
http://www.selleckchem.com/products/Betapar(Meprednisone).html

>  <CAS Number> (330)
1247-42-3

$$$$
BETATREX (betamethasone valerate).cdx
csChFnd80/07171813022D

 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
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    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (331)
499

>  <Formula> (331)
C27H37FO6

>  <MolWeight> (331)
476.5774832

>  <Item Name> (331)
Betamethasone valerate (Betnovate)

>  <Catalog Number> (331)
S1690

>  <Synonyms> (331)
Betnovate, Celestone, Betaderm, Luxiq

>  <Target> (331)
Glucocorticoid Receptor

>  <Form> (331)
Free Base

>  <URL> (331)
http://www.selleckchem.com/products/Betamethasone-valerate(Betnovate).html

>  <CAS Number> (331)
2152-44-5 

$$$$
BILTRICIDE (praziquantel).cdx
csChFnd80/07171813022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
>  <Mol_ID> (332)
500

>  <Formula> (332)
C19H24N2O2

>  <MolWeight> (332)
312.40606

>  <Item Name> (332)
Praziquantel (Biltricide)

>  <Catalog Number> (332)
S1691

>  <Synonyms> (332)
Droncit

>  <Target> (332)
Antifection

>  <Form> (332)
Free Base

>  <URL> (332)
http://www.selleckchem.com/products/Praziquantel(Biltricide).html

>  <CAS Number> (332)
55268-74-1

$$$$
BUSULFEX (busulfan).cdx
csChFnd80/07171813022D

 14 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.2167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9191    3.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0013    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4061    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (333)
501

>  <Formula> (333)
C6H14O6S2

>  <MolWeight> (333)
246.30176

>  <Item Name> (333)
Busulfan (Myleran, Busulfex)

>  <Catalog Number> (333)
S1692

>  <Synonyms> (333)
Myleran, Busulfex

>  <Target> (333)
NULL

>  <Form> (333)
Free Base

>  <URL> (333)
http://www.selleckchem.com/products/Busulfan(Busulfex).html

>  <CAS Number> (333)
55-98-1

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    2.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    3.2685    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3571    4.4810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9877    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    5.7555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    1.8482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    4.5523    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877    5.5899    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9  5  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 12 15  1  6  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
M  END
>  <Mol_ID> (334)
502

>  <Formula> (334)
C9H11F2N3O4

>  <MolWeight> (334)
263.1981464

>  <Item Name> (334)
Gemcitabine (Gemzar)

>  <Catalog Number> (334)
S1714

>  <Synonyms> (334)
Gemzar

>  <Target> (334)
Autophagy,DNA/RNA Synthesis

>  <Form> (334)
Free Base

>  <URL> (334)
http://www.selleckchem.com/products/Gemcitabine(Gemzar).html

>  <CAS Number> (334)
95058-81-4 

$$$$
CARBAMAZEPINE (carbamazepine).cdx
csChFnd80/07171813022D

 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> (335)
503

>  <Formula> (335)
C15H12N2O

>  <MolWeight> (335)
236.26858

>  <Item Name> (335)
Carbamazepine (Carbatrol)

>  <Catalog Number> (335)
S1693

>  <Synonyms> (335)
Equetro, Tegretol, Biston 

>  <Target> (335)
Autophagy,Sodium Channel

>  <Form> (335)
Free Base

>  <URL> (335)
http://www.selleckchem.com/products/Carbamazepine(Carbatrol).html

>  <CAS Number> (335)
298-46-4

$$$$
CETACORT (hydrocortisone).cdx
csChFnd80/07171813022D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    6.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    6.2495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288    7.5764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9798    4.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 14 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 17 29  1  6  0  0  0
M  END
>  <Mol_ID> (336)
504

>  <Formula> (336)
C21H30O5

>  <MolWeight> (336)
362.4599

>  <Item Name> (336)
Hydrocortisone (Cortisol)

>  <Catalog Number> (336)
S1696

>  <Synonyms> (336)
Cortisol

>  <Target> (336)
Glucocorticoid Receptor

>  <Form> (336)
Free Base

>  <URL> (336)
http://www.selleckchem.com/products/Hydrocortisone.html

>  <CAS Number> (336)
50-23-7

$$$$
DEMADEX (torsemide).cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
    7.2494    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8287    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.9951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3411    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7411    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 23  2  0  0  0  0
 15 24  2  0  0  0  0
M  END
>  <Mol_ID> (337)
505

>  <Formula> (337)
C16H20N4O3S

>  <MolWeight> (337)
348.42

>  <Item Name> (337)
Torsemide (Demadex)

>  <Catalog Number> (337)
S1698

>  <Synonyms> (337)
Demadex

>  <Target> (337)
Others

>  <Form> (337)
Free Base

>  <URL> (337)
http://www.selleckchem.com/products/Torsemide(Demadex).html

>  <CAS Number> (337)
56211-40-6

$$$$
DESOWEN (desonide).cdx
csChFnd80/07171813022D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    3.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7563    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    5.7652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1186    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1086    5.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    2.2876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2295    6.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2496    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8671    8.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 24  1  1  0  0  0
  9 25  1  1  0  0  0
 14 26  1  1  0  0  0
 12 27  1  1  0  0  0
 16 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  6  0  0  0
 17 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (338)
506

>  <Formula> (338)
C24H32O6

>  <MolWeight> (338)
416.50728

>  <Item Name> (338)
Desonide

>  <Catalog Number> (338)
S1701

>  <Synonyms> (338)
Locapred, Topifug, Tridesilon

>  <Target> (338)
Glucocorticoid Receptor

>  <Form> (338)
Free Base

>  <URL> (338)
http://www.selleckchem.com/products/Desonide.html

>  <CAS Number> (338)
638-94-8

$$$$
DIDANOSINE (didanosine).cdx
csChFnd80/07171813022D

 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> (339)
507

>  <Formula> (339)
C10H12N4O3

>  <MolWeight> (339)
236.22728

>  <Item Name> (339)
Didanosine (Videx)

>  <Catalog Number> (339)
S1702

>  <Synonyms> (339)
Videx EC 

>  <Target> (339)
NULL

>  <Form> (339)
Free Base

>  <URL> (339)
http://www.selleckchem.com/products/Didanosine(Videx).html

>  <CAS Number> (339)
69655-05-6

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/07171813022D

 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> (340)
508

>  <Formula> (340)
C16H31NaO4

>  <MolWeight> (340)
310.40471

>  <Item Name> (340)
Divalproex sodium

>  <Catalog Number> (340)
S1703

>  <Synonyms> (340)
Depakote, Epival

>  <Target> (340)
HDAC

>  <Form> (340)
Sodium Salt

>  <URL> (340)
http://www.selleckchem.com/products/Divalproex-sodium.html

>  <CAS Number> (340)
76584-70-8

$$$$
ENDOMETRIN (progesterone).cdx
csChFnd80/07171813022D

 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> (341)
509

>  <Formula> (341)
C21H30O2

>  <MolWeight> (341)
314.4617

>  <Item Name> (341)
Progesterone (Prometrium)

>  <Catalog Number> (341)
S1705

>  <Synonyms> (341)
Prometrium, Agolutin, Corlutin

>  <Target> (341)
Estrogen/progestogen Receptor

>  <Form> (341)
Free Base

>  <URL> (341)
http://www.selleckchem.com/products/Progesterone(Prometrium).html

>  <CAS Number> (341)
57-83-0

$$$$
EPIVIR (lamivudine).cdx
csChFnd80/07171813022D

 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> (342)
510

>  <Formula> (342)
C8H11N3O3S

>  <MolWeight> (342)
229.25624

>  <Item Name> (342)
Lamivudine (Epivir)

>  <Catalog Number> (342)
S1706

>  <Synonyms> (342)
3TC, Zeffix, Heptovir, Epivir, Epivir-HBV 

>  <Target> (342)
Reverse Transcriptase

>  <Form> (342)
Free Base

>  <URL> (342)
http://www.selleckchem.com/products/Lamivudine(Epivir).html

>  <CAS Number> (342)
134678-17-4

$$$$
EPLERENONE (eplerenone).cdx
csChFnd80/07171813022D

 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> (343)
511

>  <Formula> (343)
C24H30O6

>  <MolWeight> (343)
414.4914

>  <Item Name> (343)
Eplerenone

>  <Catalog Number> (343)
S1707

>  <Synonyms> (343)
Inspra

>  <Target> (343)
Glucocorticoid Receptor

>  <Form> (343)
Free Base

>  <URL> (343)
http://www.selleckchem.com/products/Eplerenone(Inspra).html

>  <CAS Number> (343)
107724-20-9

$$$$
estradiol.cdx
csChFnd80/07171813022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    5.9595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  6  0  0  0
  9 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
>  <Mol_ID> (344)
513

>  <Formula> (344)
C18H24O2

>  <MolWeight> (344)
272.38196

>  <Item Name> (344)
Estradiol

>  <Catalog Number> (344)
S1709

>  <Synonyms> (344)
17¦Â-estradiol, oestradiol, 17¦Â-Oestradiol, ¦Â-Estradiol 

>  <Target> (344)
Estrogen/progestogen Receptor

>  <Form> (344)
Free Base

>  <URL> (344)
http://www.selleckchem.com/products/Estradiol.html

>  <CAS Number> (344)
50-28-2

$$$$
EXJADE (deferasirox).cdx
csChFnd80/07171813022D

 28 31  0  0  0  0  0  0  0  0999 V2000
    1.4813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    5.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    6.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813    7.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2788    4.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165    2.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    1.9982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1786    2.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6769    4.1863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4837    8.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    8.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1813   10.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5262    2.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    2.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    3.1418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    2.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    0.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    0.8780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8886    1.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2409    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2308    1.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8685    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5162    3.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1551    4.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 15 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 15  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
M  END
>  <Mol_ID> (345)
514

>  <Formula> (345)
C21H15N3O4

>  <MolWeight> (345)
373.3615

>  <Item Name> (345)
Deferasirox (Exjade)

>  <Catalog Number> (345)
S1712

>  <Synonyms> (345)
Exjade, ICL-670, ICL-670A, CGP-72670 

>  <Target> (345)
P450 (e.g. CYP17)

>  <Form> (345)
Free Base

>  <URL> (345)
http://www.selleckchem.com/products/Deferasirox(Exjade).html

>  <CAS Number> (345)
201530-41-8

$$$$
FELDENE (piroxicam).cdx
csChFnd80/07171813022D

 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
    2.4249    5.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    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
    8.4744    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
 11 21  1  0  0  0  0
 12 22  2  0  0  0  0
 12 23  2  0  0  0  0
M  END
>  <Mol_ID> (346)
516

>  <Formula> (346)
C15H13N3O4S

>  <MolWeight> (346)
331.34642

>  <Item Name> (346)
Piroxicam (Feldene)

>  <Catalog Number> (346)
S1713

>  <Synonyms> (346)
Roxam

>  <Target> (346)
COX 

>  <Form> (346)
Free Base

>  <URL> (346)
http://www.selleckchem.com/products/Piroxicam(Feldene).html

>  <CAS Number> (346)
36322-90-4

$$$$
GLIPIZIDE (glipizide).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (347)
517

>  <Formula> (347)
C21H27N5O4S

>  <MolWeight> (347)
445.53518

>  <Item Name> (347)
Glipizide (Glucotrol)

>  <Catalog Number> (347)
S1715

>  <Synonyms> (347)
Glucotrol XL 

>  <Target> (347)
Others

>  <Form> (347)
Free Base

>  <URL> (347)
http://www.selleckchem.com/products/Glipizide(Glucotrol).html

>  <CAS Number> (347)
29094-61-9

$$$$
GLYBURIDE (glyburide).cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (348)
518

>  <Formula> (348)
C23H28ClN3O5S

>  <MolWeight> (348)
494.00352

>  <Item Name> (348)
Glyburide (Glibenclamide)

>  <Catalog Number> (348)
S1716

>  <Synonyms> (348)
Glibenclamide, Glycron, Glynase, Micronase, Daonil, Semi-Daonil, Euglucon, Delmide 

>  <Target> (348)
Potassium Channel

>  <Form> (348)
Free Base

>  <URL> (348)
http://www.selleckchem.com/products/Glyburide(Diabeta).html

>  <CAS Number> (348)
10238-21-8 

$$$$
HEPSERA (adefovir dipivoxil).cdx
csChFnd80/07171813022D

 34 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (349)
519

>  <Formula> (349)
C20H32N5O8P

>  <MolWeight> (349)
501.470541

>  <Item Name> (349)
Adefovir Dipivoxil (Preveon, Hepsera)

>  <Catalog Number> (349)
S1718

>  <Synonyms> (349)
Bis-POM PMEA, Preveon, Hepsera 

>  <Target> (349)
Reverse Transcriptase

>  <Form> (349)
Free Base

>  <URL> (349)
http://www.selleckchem.com/products/Adefovir-Dipivoxil(Preveon).html

>  <CAS Number> (349)
142340-99-6

$$$$
HIVID (zalcitabine).cdx
csChFnd80/07171813022D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (350)
520

>  <Formula> (350)
C9H13N3O3

>  <MolWeight> (350)
211.21782

>  <Item Name> (350)
Zalcitabine

>  <Catalog Number> (350)
S1719

>  <Synonyms> (350)
Hivid, Dideoxycytidine 

>  <Target> (350)
Reverse Transcriptase

>  <Form> (350)
Free Base

>  <URL> (350)
http://www.selleckchem.com/products/Zalcitabine.html

>  <CAS Number> (350)
7481-89-2

$$$$
IMURAN (azathioprine).cdx
csChFnd80/07171813022D

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    3.1062    7.2210    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.4377    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8151    8.5904    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.6467    2.9611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (351)
521

>  <Formula> (351)
C9H7N7O2S

>  <MolWeight> (351)
277.26258

>  <Item Name> (351)
Azathioprine (Azasan, Imuran)

>  <Catalog Number> (351)
S1721

>  <Synonyms> (351)
Azasan, Imuran, Azamun, BW-57-322, NSC-39084 

>  <Target> (351)
Rho

>  <Form> (351)
Free Base

>  <URL> (351)
http://www.selleckchem.com/products/Azathioprine(Azasan).html

>  <CAS Number> (351)
446-86-6

$$$$
INDOCIN (indomethacin).cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    2.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    2.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.2090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    4.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6039    6.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9686    6.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    5.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2748    6.0766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7074    7.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7706    8.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6704    7.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 17 24  2  0  0  0  0
 21 25  1  0  0  0  0
M  END
>  <Mol_ID> (352)
522

>  <Formula> (352)
C19H16ClNO4

>  <MolWeight> (352)
357.78764

>  <Item Name> (352)
Indomethacin (Indocid, Indocin)

>  <Catalog Number> (352)
S1723

>  <Synonyms> (352)
Indomethacin, Indochron E-R, Indocin-SR, Indocid, Indocin

>  <Target> (352)
COX

>  <Form> (352)
Free Base

>  <URL> (352)
http://www.selleckchem.com/products/Indomethacin(Indocid).html

>  <CAS Number> (352)
53-86-1

$$$$
Levonorgestrel.cdx
csChFnd80/07171813022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
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    7.4162    1.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    4.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    5.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4263    6.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 12 21  1  1  0  0  0
 17 22  1  1  0  0  0
 10 23  1  6  0  0  0
 11 24  1  6  0  0  0
 17 25  1  6  0  0  0
 25 26  3  0  0  0  0
 21 27  1  0  0  0  0
M  END
>  <Mol_ID> (353)
524

>  <Formula> (353)
C21H28O2

>  <MolWeight> (353)
312.44582

>  <Item Name> (353)
Levonorgestrel (Levonelle)

>  <Catalog Number> (353)
S1727

>  <Synonyms> (353)
Levonelle, D-Norgestrel, Levonova

>  <Target> (353)
Estrogen/progestogen Receptor

>  <Form> (353)
Free Base

>  <URL> (353)
http://www.selleckchem.com/products/Levonorgestrel(Levonelle).html

>  <CAS Number> (353)
797-63-7

$$$$
LOPID (gemfibrozil).cdx
csChFnd80/07171813022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    5.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 13 17  1  0  0  0  0
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M  END
>  <Mol_ID> (354)
525

>  <Formula> (354)
C15H22O3

>  <MolWeight> (354)
250.33338

>  <Item Name> (354)
Gemfibrozil (Lopid)

>  <Catalog Number> (354)
S1729

>  <Synonyms> (354)
Gemcor, Lopid, Jezil, Gen-Fibro

>  <Target> (354)
PPAR

>  <Form> (354)
Free Base

>  <URL> (354)
http://www.selleckchem.com/products/Gemfibrozil(Lopid).html

>  <CAS Number> (354)
25812-30-0

$$$$
LOZOL (indapamide).cdx
csChFnd80/07171813022D

 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
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    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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 19 15  1  0  0  0  0
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 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (355)
526

>  <Formula> (355)
C16H16ClN3O3S

>  <MolWeight> (355)
365.83454

>  <Item Name> (355)
Indapamide (Lozol)

>  <Catalog Number> (355)
S1730

>  <Synonyms> (355)
Arifon, Fludex, Noranat, Veroxil, Tertensif

>  <Target> (355)
Others

>  <Form> (355)
Free Base

>  <URL> (355)
http://www.selleckchem.com/products/Indapamide(Lozol).html

>  <CAS Number> (355)
26807-65-8

$$$$
MEDROL (methylprednisolone).cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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   10.3977    7.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3876    6.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
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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
  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> (356)
527

>  <Formula> (356)
C22H30O5

>  <MolWeight> (356)
374.4706

>  <Item Name> (356)
Methylprednisolone

>  <Catalog Number> (356)
S1733

>  <Synonyms> (356)
Medrol, Solu-Medrol, Medrone

>  <Target> (356)
Glucocorticoid Receptor

>  <Form> (356)
Free Base

>  <URL> (356)
http://www.selleckchem.com/products/Methylprednisolone.html

>  <CAS Number> (356)
83-43-2

$$$$
MELOXICAM (meloxicam).cdx
csChFnd80/07171813022D

 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
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   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
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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  2  1  0  0  0  0
  2  3  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
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (357)
528

>  <Formula> (357)
C14H13N3O4S2

>  <MolWeight> (357)
351.40072

>  <Item Name> (357)
Meloxicam (Mobic)

>  <Catalog Number> (357)
S1734

>  <Synonyms> (357)
Metacam, Parocin 

>  <Target> (357)
COX

>  <Form> (357)
Free Base

>  <URL> (357)
http://www.selleckchem.com/products/Meloxicam(Mobic).html

>  <CAS Number> (357)
71125-38-7

$$$$
Mesna.cdx
csChFnd80/07171813022D

  8  6  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.7000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    1.4000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  END
>  <Mol_ID> (358)
529

>  <Formula> (358)
C2H5NaO3S2

>  <MolWeight> (358)
164.17907

>  <Item Name> (358)
Mesna (Uromitexan, Mesnex)

>  <Catalog Number> (358)
S1735

>  <Synonyms> (358)
Uromitexan, Mesnex

>  <Target> (358)
Others

>  <Form> (358)
Sodium Salt

>  <URL> (358)
http://www.selleckchem.com/products/Mesna(Uromitexan).html

>  <CAS Number> (358)
19767-45-4

$$$$
METHOCARBAMOL (methocarbamol).cdx
csChFnd80/07171813022D

 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> (359)
530

>  <Formula> (359)
C11H15NO5

>  <MolWeight> (359)
241.2405

>  <Item Name> (359)
Methocarbamol (Robaxin)

>  <Catalog Number> (359)
S1736

>  <Synonyms> (359)
Robaxin

>  <Target> (359)
Carbonic Anhydrase

>  <Form> (359)
Free Base

>  <URL> (359)
http://www.selleckchem.com/products/Methocarbamol(Robaxin).html

>  <CAS Number> (359)
532-03-6

$$$$
MICARDIS (telmisartan).cdx
csChFnd80/07171813022D

 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
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    8.4063    3.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 10 11  2  0  0  0  0
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 15 10  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 21  1  0  0  0  0
 18 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
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 33 29  2  0  0  0  0
 31 34  1  0  0  0  0
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 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> (360)
531

>  <Formula> (360)
C33H30N4O2

>  <MolWeight> (360)
514.6169

>  <Item Name> (360)
Telmisartan (Micardis)

>  <Catalog Number> (360)
S1738

>  <Synonyms> (360)
Targit

>  <Target> (360)
RAAS

>  <Form> (360)
Free Base

>  <URL> (360)
http://www.selleckchem.com/products/Telmisartan(Micardis).html

>  <CAS Number> (360)
144701-48-4

$$$$
MINTEZOL (thiabendazole).cdx
csChFnd80/07171813022D

 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
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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  9  1  0  0  0  0
M  END
>  <Mol_ID> (361)
532

>  <Formula> (361)
C10H7N3S

>  <MolWeight> (361)
201.24768

>  <Item Name> (361)
Thiabendazole

>  <Catalog Number> (361)
S1739

>  <Synonyms> (361)
Mintezol, Equizole

>  <Target> (361)
P450 (e.g. CYP17)

>  <Form> (361)
Free Base

>  <URL> (361)
http://www.selleckchem.com/products/Thiabendazole.html

>  <CAS Number> (361)
148-79-8

$$$$
MUCINEX (guaifenesin).cdx
csChFnd80/07171813022D

 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> (362)
533

>  <Formula> (362)
C10H14O4

>  <MolWeight> (362)
198.21576

>  <Item Name> (362)
Guaifenesin (Guaiphenesin)

>  <Catalog Number> (362)
S1740

>  <Synonyms> (362)
Guaiphenesin, Glyceryl guaiacolate

>  <Target> (362)
Others

>  <Form> (362)
Free Base

>  <URL> (362)
http://www.selleckchem.com/products/Guaifenesin(Guaiphenesin).html

>  <CAS Number> (362)
93-14-1

$$$$
NEVIRAPINE (nevirapine).cdx
csChFnd80/07171813022D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    5.6793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    5.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    3.2199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    2.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    2.2676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6316    6.9363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  2  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
>  <Mol_ID> (363)
534

>  <Formula> (363)
C15H14N4O

>  <MolWeight> (363)
266.29786

>  <Item Name> (363)
Nevirapine (Viramune)

>  <Catalog Number> (363)
S1742

>  <Synonyms> (363)
Viramune, BI-RG 587

>  <Target> (363)
Reverse Transcriptase

>  <Form> (363)
Free Base

>  <URL> (363)
http://www.selleckchem.com/products/Nevirapine(Viramune).html

>  <CAS Number> (363)
129618-40-2

$$$$
NIMOTOP (nimodipine).cdx
csChFnd80/07171813022D

 30 31  0  0  0  0  0  0  0  0999 V2000
    4.8497    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    5.6073    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2831    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4955    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.6098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
  5 16  1  0  0  0  0
  1 17  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  2  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 25 30  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (364)
535

>  <Formula> (364)
C21H26N2O7

>  <MolWeight> (364)
418.44034

>  <Item Name> (364)
Nimodipine (Nimotop)

>  <Catalog Number> (364)
S1747

>  <Synonyms> (364)
Nimotop

>  <Target> (364)
Autophagy,Calcium Channel

>  <Form> (364)
Free Base

>  <URL> (364)
http://www.selleckchem.com/products/Nimodipine(Nimotop).html

>  <CAS Number> (364)
66085-59-4

$$$$
OXYTROL (oxybutynin).cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.9397    4.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6397    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    6.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8397    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397    4.0082    0.0000 C   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
    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
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    6.0580    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6800    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8855    4.1878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934    3.4896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3020    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0926    2.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5098    3.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3050    1.3945    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
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 11 16  1  0  0  0  0
  7 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  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  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (365)
536

>  <Formula> (365)
C22H31NO3

>  <MolWeight> (365)
357.48644

>  <Item Name> (365)
Oxybutynin (Ditropan)

>  <Catalog Number> (365)
S1754

>  <Synonyms> (365)
Ditropan, Lyrinel XL, Oxytrol 

>  <Target> (365)
AChR

>  <Form> (365)
Free Base

>  <URL> (365)
http://www.selleckchem.com/products/Oxybutynin(Ditropan).html

>  <CAS Number> (365)
5633-20-5

$$$$
Pitavastatin calcium.cdx
csChFnd80/07171813022D

 63 68  0  0  0  0  0  0  0  0999 V2000
   12.5069    5.8382    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.1925   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    9.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    9.4078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   10.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   12.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151    7.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150    8.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   13.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   16.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   15.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   14.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   17.8076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   12.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   12.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2938   11.1190    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3939   10.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725   10.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   11.9483    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0935   13.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934   14.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5146   15.6518    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.3721   14.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9511   11.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1925   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049   -2.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6173    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4049    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297   -2.0719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421   -1.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    0.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4363   -2.5418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9151   -3.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8150   -2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8297    2.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    2.8280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CFW  24 B_NG_STER 3
M  CFW  58 B_NG_STER 3
M  END
>  <Mol_ID> (366)
537

>  <Formula> (366)
C50H46CaF2N2O8

>  <MolWeight> (366)
880.9836464

>  <Item Name> (366)
Pitavastatin calcium (Livalo)

>  <Catalog Number> (366)
S1759

>  <Synonyms> (366)
Livalo

>  <Target> (366)
HMG-CoA Reductase

>  <Form> (366)
Calcium salt

>  <URL> (366)
http://www.selleckchem.com/products/Pitavastatin-calcium(Livalo).html

>  <CAS Number> (366)
147526-32-7

$$$$
PYRAZINAMIDE (pyrazinamide).cdx
csChFnd80/07171813022D

  9  9  0  0  0  0  0  0  0  0999 V2000
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    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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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  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (367)
538

>  <Formula> (367)
C5H5N3O

>  <MolWeight> (367)
123.1127

>  <Item Name> (367)
Pyrazinamide (Pyrazinoic acid amide)

>  <Catalog Number> (367)
S1762

>  <Synonyms> (367)
Pezetamid, Pyrafat, Zinamide, Tebrazid, Pyrafat 

>  <Target> (367)
Antifection

>  <Form> (367)
Free Base

>  <URL> (367)
http://www.selleckchem.com/products/Pyrazinamide(Pyrazinoic-acid-amide).html

>  <CAS Number> (367)
98-96-4

$$$$
QUETIAPINE FUMARATE (quetiapine fumarate).cdx
csChFnd80/07171813022D

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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (368)
539

>  <Formula> (368)
C46H54N6O8S2

>  <MolWeight> (368)
883.08636

>  <Item Name> (368)
Quetiapine fumarate (Seroquel)

>  <Catalog Number> (368)
S1763

>  <Synonyms> (368)
ICI-204636, ZD 5077, ZM 204636, Seroquel XR 

>  <Target> (368)
Dopamine Receptor

>  <Form> (368)
Fumarate

>  <URL> (368)
http://www.selleckchem.com/products/Quetiapine-fumarate(Seroquel).html

>  <CAS Number> (368)
111974-72-2

$$$$
SPECTRACEF (cefditoren pivoxil).cdx
csChFnd80/07171813022D

 42 45  0  0  0  0  0  0  0  0999 V2000
    9.6186    4.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8311    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    3.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2560    2.3817    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2560    5.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  2  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  8  2  0  0  0  0
 11 16  2  0  0  0  0
 15 17  1  0  0  0  0
  2 18  1  1  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
 12 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 35  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
>  <Mol_ID> (369)
541

>  <Formula> (369)
C25H28N6O7S3

>  <MolWeight> (369)
620.72082

>  <Item Name> (369)
Cefditoren pivoxil

>  <Catalog Number> (369)
S1768

>  <Synonyms> (369)
Spectracef , Meiact

>  <Target> (369)
5-alpha Reductase 

>  <Form> (369)
Free Base

>  <URL> (369)
http://www.selleckchem.com/products/Cefditoren-pivoxil.html

>  <CAS Number> (369)
117467-28-4 

$$$$
SULFADIAZINE (sulfadiazine).cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (370)
542

>  <Formula> (370)
C10H10N4O2S

>  <MolWeight> (370)
250.277

>  <Item Name> (370)
Sulfadiazine

>  <Catalog Number> (370)
S1770

>  <Synonyms> (370)
Adiazin, Adiazine, Debenal, Liquadiazine

>  <Target> (370)
Antifection

>  <Form> (370)
Free Base

>  <URL> (370)
http://www.selleckchem.com/products/Sulfadiazine.html

>  <CAS Number> (370)
68-35-9

$$$$
TARACTAN (chlorprothixene).cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
  7 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (371)
543

>  <Formula> (371)
C18H18ClNS

>  <MolWeight> (371)
315.86022

>  <Item Name> (371)
Chlorprothixene

>  <Catalog Number> (371)
S1771

>  <Synonyms> (371)
Cloxan, Taractan, Truxal

>  <Target> (371)
Dopamine Receptor

>  <Form> (371)
Free Base

>  <URL> (371)
http://www.selleckchem.com/products/Chlorprothixene.html

>  <CAS Number> (371)
113-59-7

$$$$
TERRAMYCIN (oxytetracycline).cdx
csChFnd80/07171813022D

 35 38  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6911    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    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
    1.2082    6.2854    0.0000 O   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
    3.6289    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 N   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
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4686    1.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1163    0.7404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  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  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  1 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
  2 18  1  0  0  0  0
  6 19  2  0  0  0  0
  3 20  1  6  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 10 23  2  0  0  0  0
 14 24  1  0  0  0  0
 12 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
 28 29  1  0  0  0  0
 11 30  1  1  0  0  0
  5 31  1  6  0  0  0
  4 32  1  6  0  0  0
  7 33  1  6  0  0  0
  8 34  1  6  0  0  0
 11 35  1  6  0  0  0
M  END
>  <Mol_ID> (372)
544

>  <Formula> (372)
C22H24N2O9

>  <MolWeight> (372)
460.43396

>  <Item Name> (372)
Oxytetracycline (Terramycin)

>  <Catalog Number> (372)
S1773

>  <Synonyms> (372)
Terramycin, Liquamycin

>  <Target> (372)
NULL

>  <Form> (372)
Free Base

>  <URL> (372)
http://www.selleckchem.com/products/Oxytetracycline(Terramycin).html

>  <CAS Number> (372)
79-57-2

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/07171813022D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  2 10  1  0  0  0  0
  6 11  2  0  0  0  0
M  END
>  <Mol_ID> (373)
545

>  <Formula> (373)
C5H5N5S

>  <MolWeight> (373)
167.1917

>  <Item Name> (373)
Thioguanine

>  <Catalog Number> (373)
S1774

>  <Synonyms> (373)
6-Thioguanine

>  <Target> (373)
Others

>  <Form> (373)
Free Base

>  <URL> (373)
http://www.selleckchem.com/products/Thioguanine.html

>  <CAS Number> (373)
154-42-7

$$$$
Thiotepa.cdx
csChFnd80/07171813022D

 11 13  0  0  0  0  0  0  0  0999 V2000
    2.6124    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  4  1  0  0  0  0
M  END
>  <Mol_ID> (374)
546

>  <Formula> (374)
C6H12N3PS

>  <MolWeight> (374)
189.218341

>  <Item Name> (374)
Thiotepa (Thioplex)

>  <Catalog Number> (374)
S1775

>  <Synonyms> (374)
Tiofosyl, Tiofosfamid, Triethylenethiophosphoramide 

>  <Target> (374)
Others

>  <Form> (374)
Free Base

>  <URL> (374)
http://www.selleckchem.com/products/Thiotepa(Thioplex).html

>  <CAS Number> (374)
52-24-4

$$$$
TRECATOR (ethionamide).cdx
csChFnd80/07171813022D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (375)
547

>  <Formula> (375)
C8H10N2S

>  <MolWeight> (375)
166.2434

>  <Item Name> (375)
Ethionamide

>  <Catalog Number> (375)
S1777

>  <Synonyms> (375)
2-ethylthioisonicotinamide, Trecator SC, Amidazine 

>  <Target> (375)
Antifection

>  <Form> (375)
Free Base

>  <URL> (375)
http://www.selleckchem.com/products/Ethionamide.html

>  <CAS Number> (375)
536-33-4

$$$$
TRIFLURIDINE (trifluridine).cdx
csChFnd80/07171813022D

 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
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  6  1  1  0  0  0  0
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  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  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> (376)
548

>  <Formula> (376)
C10H11F3N2O5

>  <MolWeight> (376)
296.1999496

>  <Item Name> (376)
Trifluridine (Viroptic)

>  <Catalog Number> (376)
S1778

>  <Synonyms> (376)
Viroptic, Trifluorothymidine

>  <Target> (376)
NULL

>  <Form> (376)
Free Base

>  <URL> (376)
http://www.selleckchem.com/products/Trifluridine(Viroptic).html

>  <CAS Number> (376)
70-00-8

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7390    7.6619    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3867    7.2996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3134    5.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    5.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5015    6.4878    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2390    8.9644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8947    6.4148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025    8.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9815    4.0522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9916    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3539    1.7099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6440    3.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0673    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  1  1  0  0  0
  5  7  1  1  0  0  0
  2  8  1  6  0  0  0
  4  9  1  6  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (377)
549

>  <Formula> (377)
C8H12N4O5

>  <MolWeight> (377)
244.20468

>  <Item Name> (377)
Azacitidine (Vidaza)

>  <Catalog Number> (377)
S1782

>  <Synonyms> (377)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (377)
DNA/RNA Synthesis

>  <Form> (377)
Free Base

>  <URL> (377)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

>  <CAS Number> (377)
320-67-2

$$$$
VIRA-A (vidarabine).cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.2546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5190    5.6872    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5190    7.0872    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    7.5199    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3646    6.3872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    4.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6476    7.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3917    9.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 11  9  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
 14 16  1  6  0  0  0
 12 17  1  6  0  0  0
 13 18  1  1  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (378)
550

>  <Formula> (378)
C10H13N5O4

>  <MolWeight> (378)
267.24132

>  <Item Name> (378)
Vidarabine (Vira-A)

>  <Catalog Number> (378)
S1784

>  <Synonyms> (378)
Vira-A

>  <Target> (378)
5-alpha Reductase 

>  <Form> (378)
Free Base

>  <URL> (378)
http://www.selleckchem.com/products/Vidarabine(Vira-A).html

>  <CAS Number> (378)
5536-17-4

$$$$
VUMON (teniposide).cdx
csChFnd80/07171813022D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4777    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6902    4.1903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9026    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1108    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3233    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4373    3.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0068    2.6745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    2.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3326    1.7841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6801    3.2003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8488    6.9903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.8488    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0613    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9368    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5860   10.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937   10.4597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (379)
551

>  <Formula> (379)
C32H32O13S

>  <MolWeight> (379)
656.65368

>  <Item Name> (379)
Teniposide (Vumon)

>  <Catalog Number> (379)
S1787

>  <Synonyms> (379)
Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (379)
Topoisomerase

>  <Form> (379)
Free Base

>  <URL> (379)
http://www.selleckchem.com/products/Teniposide(Vumon).html

>  <CAS Number> (379)
29767-20-2

$$$$
XIFAXAN (rifaximin).cdx
csChFnd80/07171813022D

 57 62  0  0  0  0  0  0  0  0999 V2000
    4.8497    9.9259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    8.5259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    9.9259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622   10.6259    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   10.9119    7.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    5.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    5.7283    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4291    4.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    3.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    2.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.8259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    6.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126    5.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.2332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    2.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0492    1.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7781    2.2613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1705    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    3.3939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9934    0.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3857    1.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9551    2.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1322    3.5403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  3  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  2  0  0  0  0
  1 11  1  6  0  0  0
  4 12  1  6  0  0  0
  3 13  1  6  0  0  0
  8 14  1  0  0  0  0
  7 15  2  0  0  0  0
  7 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
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 20 21  1  0  0  0  0
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 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
  2 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  2  0  0  0  0
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 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 20  1  0  0  0  0
 30 34  1  0  0  0  0
 31 35  1  0  0  0  0
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 26 37  1  6  0  0  0
 37 38  1  0  0  0  0
  6 39  1  1  0  0  0
 32 40  1  0  0  0  0
 40 41  1  0  0  0  0
 29 41  1  0  0  0  0
 33 42  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 41 44  1  6  0  0  0
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 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
  2 49  1  1  0  0  0
 21 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 22  1  0  0  0  0
 51 53  1  0  0  0  0
 53 54  2  0  0  0  0
 54 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 52  1  0  0  0  0
 54 57  1  0  0  0  0
M  END
>  <Mol_ID> (380)
552

>  <Formula> (380)
C43H51N3O11

>  <MolWeight> (380)
785.87854

>  <Item Name> (380)
Rifaximin (Xifaxan)

>  <Catalog Number> (380)
S1790

>  <Synonyms> (380)
Rifacol, Fatroximin

>  <Target> (380)
DNA/RNA Synthesis

>  <Form> (380)
Free Base

>  <URL> (380)
http://www.selleckchem.com/products/Rifaximin(Xifaxan).html

>  <CAS Number> (380)
80621-81-4

$$$$
ZOCOR (simvastatin).cdx
csChFnd80/07171813022D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8329    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4122    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  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
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1165    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1951    0.0000 C   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
    8.4660    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    6.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.3879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2536    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6830    0.0000 H   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
  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
 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
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
  9 20  1  1  0  0  0
 10 21  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 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> (381)
553

>  <Formula> (381)
C25H38O5

>  <MolWeight> (381)
418.56622

>  <Item Name> (381)
Simvastatin (Zocor)

>  <Catalog Number> (381)
S1792

>  <Synonyms> (381)
Simlup, Simcard, Simvacor, Simvoget, Zorced 

>  <Target> (381)
HMG-CoA Reductase

>  <Form> (381)
Free Base

>  <URL> (381)
http://www.selleckchem.com/products/Simvastatin(Zocor).html

>  <CAS Number> (381)
79902-63-9

$$$$
ALTACE (ramipril).cdx
csChFnd80/07171813022D

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6247    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    6.9879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4618    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    6.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    8.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8164    4.8980    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1858    4.6069    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9490    6.8597    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1164    3.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532    2.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3321    3.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2391    8.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2023    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5659    8.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 16 15  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 19  1  6  0  0  0
 22 27  1  6  0  0  0
 24 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
M  END
>  <Mol_ID> (382)
554

>  <Formula> (382)
C23H32N2O5

>  <MolWeight> (382)
416.51058

>  <Item Name> (382)
Ramipril (Altace)

>  <Catalog Number> (382)
S1793

>  <Synonyms> (382)
Tritace

>  <Target> (382)
RAAS

>  <Form> (382)
Free Base

>  <URL> (382)
http://www.selleckchem.com/products/Ramipril(Altace).html

>  <CAS Number> (382)
87333-19-5

$$$$
FENOFIBRATE (MICRONIZED) (fenofibrate).cdx
csChFnd80/07171813022D

 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> (383)
555

>  <Formula> (383)
C20H21ClO4

>  <MolWeight> (383)
360.83134

>  <Item Name> (383)
Fenofibrate (Tricor, Trilipix)

>  <Catalog Number> (383)
S1794

>  <Synonyms> (383)
Antara, Fenoglide, Fibricor, Lipofen, Lofibra, Triglide 

>  <Target> (383)
NULL

>  <Form> (383)
Free Base

>  <URL> (383)
http://www.selleckchem.com/products/Fenofibrate(Tricor).html

>  <CAS Number> (383)
49562-28-9

$$$$
RANEXA (ranolazine).cdx
csChFnd80/07171813022D

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3115    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (384)
556

>  <Formula> (384)
C24H33N3O4

>  <MolWeight> (384)
427.53652

>  <Item Name> (384)
Ranolazine (Ranexa)

>  <Catalog Number> (384)
S1799

>  <Synonyms> (384)
Ranexa

>  <Target> (384)
Calcium Channel

>  <Form> (384)
Free Base

>  <URL> (384)
http://www.selleckchem.com/products/Ranolazine(Ranexa).html

>  <CAS Number> (384)
95635-55-5

$$$$
RANITIDINE (ranitidine).cdx
csChFnd80/07171813022D

 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> (385)
557

>  <Formula> (385)
C13H23ClN4O3S

>  <MolWeight> (385)
350.86472

>  <Item Name> (385)
Ranitidine Hydrochloride

>  <Catalog Number> (385)
S1801

>  <Synonyms> (385)
AH19065

>  <Target> (385)
Histamine Receptor antagonist

>  <Form> (385)
Hydrochloride

>  <URL> (385)
http://www.selleckchem.com/products/Ranitidine-hydrochloride(Zantac).html

>  <CAS Number> (385)
66357-59-3

$$$$
Acipimox.cdx
csChFnd80/07171813022D

 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> (386)
558

>  <Formula> (386)
C6H6N2O3

>  <MolWeight> (386)
154.12344

>  <Item Name> (386)
Acipimox 

>  <Catalog Number> (386)
S1806

>  <Synonyms> (386)
K-9321, Olbemox, Olbetam

>  <Target> (386)
Others

>  <Form> (386)
Free Base

>  <URL> (386)
http://www.selleckchem.com/products/Acipimox.html

>  <CAS Number> (386)
51037-30-0

$$$$
Acyclovir.cdx
csChFnd80/07171813022D

 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> (387)
559

>  <Formula> (387)
C8H11N5O3

>  <MolWeight> (387)
225.20464

>  <Item Name> (387)
Acyclovir (Aciclovir)

>  <Catalog Number> (387)
S1807

>  <Synonyms> (387)
Aciclovir, Acycloguanosine, Zovirax 

>  <Target> (387)
Antifection

>  <Form> (387)
Free Base

>  <URL> (387)
http://www.selleckchem.com/products/Acyclovir(Aciclovir).html

>  <CAS Number> (387)
59277-89-3 

$$$$
ADALAT (nifedipine).cdx
csChFnd80/07171813022D

 25 26  0  0  0  0  0  0  0  0999 V2000
    3.6247    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4019    5.2575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.3884    4.2710    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.7629    6.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (388)
560

>  <Formula> (388)
C17H18N2O6

>  <MolWeight> (388)
346.33462

>  <Item Name> (388)
Nifedipine (Adalat)

>  <Catalog Number> (388)
S1808

>  <Synonyms> (388)
Anifed, Afeditab CR, Nifediac, Nifedical, Procardia 

>  <Target> (388)
Calcium Channel

>  <Form> (388)
Free Base

>  <URL> (388)
http://www.selleckchem.com/products/Nifedipine(Adalat).html

>  <CAS Number> (388)
21829-25-4

$$$$
Amiloride hydrochloride.cdx
csChFnd80/07171813022D

 16 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8073    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (389)
561

>  <Formula> (389)
C6H9Cl2N7O

>  <MolWeight> (389)
266.08796

>  <Item Name> (389)
Amiloride HCl

>  <Catalog Number> (389)
S1811

>  <Synonyms> (389)
N/A

>  <Target> (389)
Sodium Channel,Calcium Channel

>  <Form> (389)
Hydrochloride

>  <URL> (389)
http://www.selleckchem.com/products/Amiloride-hydrochloride(Midamor).html

>  <CAS Number> (389)
2016-88-8

$$$$
Baricitinib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (390)
562

>  <Formula> (390)
C16H17N7O2S

>  <MolWeight> (390)
371.41688

>  <Item Name> (390)
Baricitinib (LY3009104)

>  <Catalog Number> (390)
S2851

>  <Synonyms> (390)
INCB 28050

>  <Target> (390)
JAK

>  <Form> (390)
Free Base

>  <URL> (390)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

>  <CAS Number> (390)
1187594-09-7

$$$$
Amlodipine besylate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (391)
564

>  <Formula> (391)
C26H31ClN2O8S

>  <MolWeight> (391)
567.05094

>  <Item Name> (391)
Amlodipine besylate (Norvasc)

>  <Catalog Number> (391)
S1813

>  <Synonyms> (391)
N/A

>  <Target> (391)
Calcium Channel

>  <Form> (391)
Besylate

>  <URL> (391)
selleckchem.com/products/Amlodipine-besylate(Norvasc).html

>  <CAS Number> (391)
111470-99-6

$$$$
Deferiprone.cdx
csChFnd80/07171813022D

 10 10  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (392)
565

>  <Formula> (392)
C7H9NO2

>  <MolWeight> (392)
139.15186

>  <Item Name> (392)
Deferiprone

>  <Catalog Number> (392)
S4067

>  <Synonyms> (392)
N/A

>  <Target> (392)
Others

>  <Form> (392)
Free Base

>  <URL> (392)
http://www.selleckchem.com/products/deferiprone.html

>  <CAS Number> (392)
30652-11-0

$$$$
CAPITROL (chloroxine).cdx
csChFnd80/07171813022D

 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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M  END
>  <Mol_ID> (393)
566

>  <Formula> (393)
C9H5Cl2NO

>  <MolWeight> (393)
214.0481

>  <Item Name> (393)
Chloroxine

>  <Catalog Number> (393)
S1839

>  <Synonyms> (393)
Capitrol

>  <Target> (393)
Antifection

>  <Form> (393)
Free Base

>  <URL> (393)
http://www.selleckchem.com/products/Chloroxine.html

>  <CAS Number> (393)
773-76-2

$$$$
CEENU (lomustine).cdx
csChFnd80/07171813022D

 15 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (394)
567

>  <Formula> (394)
C9H16ClN3O2

>  <MolWeight> (394)
233.69524

>  <Item Name> (394)
Lomustine (CeeNU)

>  <Catalog Number> (394)
S1840

>  <Synonyms> (394)
CCNU 

>  <Target> (394)
DNA/RNA Synthesis

>  <Form> (394)
Free Base

>  <URL> (394)
http://www.selleckchem.com/products/Lomustine(CeeNU).html

>  <CAS Number> (394)
13010-47-4

$$$$
CHENIX (chenodiol).cdx
csChFnd80/07171813022D

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   11.0183    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 12  1  0  0  0  0
  2 18  1  6  0  0  0
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  5 20  1  1  0  0  0
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 10 22  1  6  0  0  0
 11 23  1  6  0  0  0
 17 24  1  6  0  0  0
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M  END
>  <Mol_ID> (395)
568

>  <Formula> (395)
C24H40O4

>  <MolWeight> (395)
392.572

>  <Item Name> (395)
Chenodeoxycholic acid

>  <Catalog Number> (395)
S1843

>  <Synonyms> (395)
Chenodiol, Chenodesoxycholic acid, Chenocholic acid 

>  <Target> (395)
NULL

>  <Form> (395)
Free Base

>  <URL> (395)
http://www.selleckchem.com/products/Chenodeoxycholic-acid.html

>  <CAS Number> (395)
474-25-9 

$$$$
cimetidine.cdx
csChFnd80/07171813022D

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    5.4300    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (396)
569

>  <Formula> (396)
C10H16N6S

>  <MolWeight> (396)
252.33924

>  <Item Name> (396)
Cimetidine (Tagamet)

>  <Catalog Number> (396)
S1845

>  <Synonyms> (396)
Tagamet, SKF-92334, Tratul, Tametin, Dyspamet, Acinil 

>  <Target> (396)
NULL

>  <Form> (396)
Free Base

>  <URL> (396)
http://www.selleckchem.com/products/Cimetidine(Tagamet).html

>  <CAS Number> (396)
51481-61-9

$$$$
clemastine fumarate.cdx
csChFnd80/07171813022D

 32 33  0  0  0  0  0  0  0  0999 V2000
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 16 12  1  0  0  0  0
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M  END
>  <Mol_ID> (397)
570

>  <Formula> (397)
C25H30ClNO5

>  <MolWeight> (397)
459.9624

>  <Item Name> (397)
Clemastine Fumarate

>  <Catalog Number> (397)
S1847

>  <Synonyms> (397)
Tavist, Agasten 

>  <Target> (397)
Histamine Receptor

>  <Form> (397)
Fumarate

>  <URL> (397)
http://www.selleckchem.com/products/Clemastine-Fumarate.html

>  <CAS Number> (397)
14976-57-9

$$$$
Methylthiouracil.cdx
csChFnd80/07171813022D

  9  9  0  0  0  0  0  0  0  0999 V2000
    1.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
>  <Mol_ID> (398)
574

>  <Formula> (398)
C5H6N2OS

>  <MolWeight> (398)
142.17894

>  <Item Name> (398)
Methylthiouracil

>  <Catalog Number> (398)
S3138

>  <Synonyms> (398)
N/A

>  <Target> (398)
Others

>  <Form> (398)
Free Base

>  <URL> (398)
http://www.selleckchem.com/products/methylthiouracil.html

>  <CAS Number> (398)
56-04-2

$$$$
LANIAZID (isoniazid).cdx
csChFnd80/07171813022D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (399)
575

>  <Formula> (399)
C6H7N3O

>  <MolWeight> (399)
137.13928

>  <Item Name> (399)
Isoniazid (Tubizid)

>  <Catalog Number> (399)
S1937

>  <Synonyms> (399)
Tubizid, Laniazid, Nydrazid, Isonicotinylhydrazine

>  <Target> (399)
Angiogenesis

>  <Form> (399)
Free Base

>  <URL> (399)
http://www.selleckchem.com/products/Isoniazid(Tubizid).html

>  <CAS Number> (399)
54-85-3

$$$$
Levamisole Hydrochloride.cdx
csChFnd80/07171813022D

 16 17  0  0  0  0  0  0  0  0999 V2000
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    6.8181    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6410    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8181    5.0555    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9900    3.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (400)
576

>  <Formula> (400)
C11H13ClN2S

>  <MolWeight> (400)
240.75232

>  <Item Name> (400)
(-)-Tetramisole 

>  <Catalog Number> (400)
S1939

>  <Synonyms> (400)
Ergamisol

>  <Target> (400)
Immunology & Inflammation related

>  <Form> (400)
Hydrochloride

>  <URL> (400)
http://www.selleckchem.com/products/Levamisole-Hydrochloride(Ergamisol).html

>  <CAS Number> (400)
16595-80-5 

$$$$
LEVOFLOXACIN (levofloxacin).cdx
csChFnd80/07171813022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    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
    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
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M  END
>  <Mol_ID> (401)
577

>  <Formula> (401)
C18H20FN3O4

>  <MolWeight> (401)
361.3675032

>  <Item Name> (401)
Levofloxacin (Levaquin)

>  <Catalog Number> (401)
S1940

>  <Synonyms> (401)
Fluoroquinolone

>  <Target> (401)
Topoisomerase

>  <Form> (401)
Free Base

>  <URL> (401)
http://www.selleckchem.com/products/Levofloxacin(Levaquin).html

>  <CAS Number> (401)
100986-85-4

$$$$
LEXXEL (enalapril maleate).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (402)
578

>  <Formula> (402)
C24H32N2O9

>  <MolWeight> (402)
492.51888

>  <Item Name> (402)
Enalapril maleate (Vasotec)

>  <Catalog Number> (402)
S1941

>  <Synonyms> (402)
Glioten, Renitec 

>  <Target> (402)
Opioid Receptor

>  <Form> (402)
Maleate

>  <URL> (402)
http://www.selleckchem.com/products/Enalapril-maleate(Vasotec).html

>  <CAS Number> (402)
76095-16-4

$$$$
MENADIONE (menadione).cdx
csChFnd80/07171813022D

 13 14  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (403)
579

>  <Formula> (403)
C11H8O2

>  <MolWeight> (403)
172.18002

>  <Item Name> (403)
Menadione

>  <Catalog Number> (403)
S1949

>  <Synonyms> (403)
Vitamin K3

>  <Target> (403)
DNA/RNA Synthesis,phosphatase

>  <Form> (403)
Free Base

>  <URL> (403)
http://www.selleckchem.com/products/Menadione.html

>  <CAS Number> (403)
58-27-5

$$$$
Metformin hydrochloride.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (404)
580

>  <Formula> (404)
C4H12ClN5

>  <MolWeight> (404)
165.62458

>  <Item Name> (404)
Metformin hydrochloride (Glucophage)

>  <Catalog Number> (404)
S1950

>  <Synonyms> (404)
Glucophage, Riomet, Diabex

>  <Target> (404)
Others

>  <Form> (404)
Hydrochloride

>  <URL> (404)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

>  <CAS Number> (404)
1115-70-4

$$$$
Methoxsalen.cdx
csChFnd80/07171813022D

 16 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
581

>  <Formula> (405)
C12H8O4

>  <MolWeight> (405)
216.18952

>  <Item Name> (405)
Methoxsalen (Oxsoralen)

>  <Catalog Number> (405)
S1952

>  <Synonyms> (405)
Xanthotoxin, Metoxaleno,  Dltasoralen, Meladinine, Uvadex

>  <Target> (405)
P450 (e.g. CYP17)

>  <Form> (405)
Free Base

>  <URL> (405)
http://www.selleckchem.com/products/Methoxsalen(Oxsoralen).html

>  <CAS Number> (405)
298-81-7

$$$$
Miconazole nitrate.cdx
csChFnd80/07171813022D

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 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> (406)
582

>  <Formula> (406)
C18H15Cl4N3O4

>  <MolWeight> (406)
479.1414

>  <Item Name> (406)
Miconazole nitrate

>  <Catalog Number> (406)
S1956

>  <Synonyms> (406)
Fungisdin, Albistat, Andergin, Daktacort

>  <Target> (406)
Antifection

>  <Form> (406)
Nitrate 

>  <URL> (406)
http://www.selleckchem.com/products/Miconazole-nitrate.html

>  <CAS Number> (406)
22832-87-7

$$$$
MYSOLINE (primidone).cdx
csChFnd80/07171813022D

 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> (407)
583

>  <Formula> (407)
C12H14N2O2

>  <MolWeight> (407)
218.25176

>  <Item Name> (407)
Primidone (Mysoline)

>  <Catalog Number> (407)
S1965

>  <Synonyms> (407)
Mysoline, Neurosyn, Mylepsin

>  <Target> (407)
Sodium Channel

>  <Form> (407)
Free Base

>  <URL> (407)
http://www.selleckchem.com/products/Primidone(Mysoline).html

>  <CAS Number> (407)
125-33-7

$$$$
Nefiracetam.cdx
csChFnd80/07171813022D

 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> (408)
584

>  <Formula> (408)
C14H18N2O2

>  <MolWeight> (408)
246.30492

>  <Item Name> (408)
Nefiracetam (Translon)

>  <Catalog Number> (408)
S1969

>  <Synonyms> (408)
DM 9384, Translon, DZL-221

>  <Target> (408)
GABA Receptor

>  <Form> (408)
Free Base

>  <URL> (408)
http://www.selleckchem.com/products/Nefiracetam(Translon).html

>  <CAS Number> (408)
77191-36-7

$$$$
Nicorandil.cdx
csChFnd80/07171813022D

 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> (409)
585

>  <Formula> (409)
C8H9N3O4

>  <MolWeight> (409)
211.17476

>  <Item Name> (409)
Nicorandil (Ikorel)

>  <Catalog Number> (409)
S1971

>  <Synonyms> (409)
SG-75

>  <Target> (409)
Potassium Channel

>  <Form> (409)
Free Base

>  <URL> (409)
http://www.selleckchem.com/products/Nicorandil(Ikorel).html

>  <CAS Number> (409)
65141-46-0

$$$$
Nolvadex (Tamoxifen Citrate).cdx
csChFnd80/07171813022D

 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> (410)
586

>  <Formula> (410)
C32H37NO8

>  <MolWeight> (410)
563.63808

>  <Item Name> (410)
Tamoxifen Citrate (Nolvadex)

>  <Catalog Number> (410)
S1972

>  <Synonyms> (410)
Istubal

>  <Target> (410)
Estrogen/progestogen Receptor

>  <Form> (410)
Citrate

>  <URL> (410)
http://www.selleckchem.com/products/Tamoxifen-Citrate(Nolvadex).html

>  <CAS Number> (410)
54965-24-1

$$$$
PAMINE (methscopolamine bromide).cdx
csChFnd80/07171813022D

 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
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 19 21  1  0  0  0  0
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 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> (411)
588

>  <Formula> (411)
C18H24BrNO4

>  <MolWeight> (411)
398.29146

>  <Item Name> (411)
Methscopolamine (Pamine)

>  <Catalog Number> (411)
S1978

>  <Synonyms> (411)
N/A 

>  <Target> (411)
AChR

>  <Form> (411)
quaternary-N bromide salt

>  <URL> (411)
http://www.selleckchem.com/products/Methscopolamine-bromide(Pamine).html

>  <CAS Number> (411)
155-41-9

$$$$
PROPYLTHIOURACIL (propylthiouracil).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (412)
589

>  <Formula> (412)
C7H10N2OS

>  <MolWeight> (412)
170.2321

>  <Item Name> (412)
Propylthiouracil

>  <Catalog Number> (412)
S1988

>  <Synonyms> (412)
6-n-Propylthiouracil

>  <Target> (412)
Others

>  <Form> (412)
Free Base

>  <URL> (412)
http://www.selleckchem.com/products/Propylthiouracil.html

>  <CAS Number> (412)
51-52-5

$$$$
SEROMYCIN (cycloserine).cdx
csChFnd80/07171813022D

  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
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M  END
>  <Mol_ID> (413)
590

>  <Formula> (413)
C3H6N2O2

>  <MolWeight> (413)
102.09194

>  <Item Name> (413)
D-Cycloserine

>  <Catalog Number> (413)
S1998

>  <Synonyms> (413)
Seromycin

>  <Target> (413)
Antifection

>  <Form> (413)
Free Base

>  <URL> (413)
http://www.selleckchem.com/products/D-Cycloserine.html

>  <CAS Number> (413)
68-41-7

$$$$
Sodium butyrate.cdx
csChFnd80/07171813022D

  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
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  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (414)
591

>  <Formula> (414)
C4H7NaO2

>  <MolWeight> (414)
110.08695

>  <Item Name> (414)
Sodium butyrate

>  <Catalog Number> (414)
S1999

>  <Synonyms> (414)
Butyric acid sodium salt

>  <Target> (414)
HDAC

>  <Form> (414)
Sodium Salt

>  <URL> (414)
http://www.selleckchem.com/products/Sodium-butyrate.html

>  <CAS Number> (414)
156-54-7

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (415)
593

>  <Formula> (415)
C23H23ClFNO5

>  <MolWeight> (415)
447.8838232

>  <Item Name> (415)
Elvitegravir (GS-9137)

>  <Catalog Number> (415)
S2001

>  <Synonyms> (415)
N/A 

>  <Target> (415)
Integrase 

>  <Form> (415)
Free Base

>  <URL> (415)
http://www.selleckchem.com/products/Elvitegravir.html

>  <CAS Number> (415)
697761-98-1

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (416)
594

>  <Formula> (416)
C29H41F2N5O

>  <MolWeight> (416)
513.6655464

>  <Item Name> (416)
Maraviroc

>  <Catalog Number> (416)
S2003

>  <Synonyms> (416)
UK-427857, Celsentri 

>  <Target> (416)
CCR5 

>  <Form> (416)
Free Base

>  <URL> (416)
http://www.selleckchem.com/products/Maraviroc.html

>  <CAS Number> (416)
376348-65-1

$$$$
Raltegravir.cdx
csChFnd80/07171813022D

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Raltegravir (MK-0518)

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Isentress 

>  <Target> (417)
Integrase

>  <Form> (417)
Free Base

>  <URL> (417)
http://www.selleckchem.com/products/Raltegravir-(MK-0518).html

>  <CAS Number> (417)
518048-05-0

$$$$
pyrimethamine.cdx
csChFnd80/07171813022D

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C12H13ClN4

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Pyrimethamine

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S2006

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Daraprim

>  <Target> (418)
NULL

>  <Form> (418)
Free Base

>  <URL> (418)
http://www.selleckchem.com/products/Pyrimethamine.html

>  <CAS Number> (418)
58-14-0

$$$$
Sulindac.cdx
csChFnd80/07171813022D

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598

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C20H17FO3S

>  <MolWeight> (419)
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Sulindac (Clinoril)

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S2007

>  <Synonyms> (419)
Clinoril, Aflodac, Sulreuma

>  <Target> (419)
NULL

>  <Form> (419)
Free Base

>  <URL> (419)
http://www.selleckchem.com/products/Sulindac(Clinoril).html

>  <CAS Number> (419)
38194-50-2

$$$$
Taurine.cdx
csChFnd80/07171813022D

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599

>  <Formula> (420)
C2H7NO3S

>  <MolWeight> (420)
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Taurine

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S2008

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2-Aminoethanesulfonic acid

>  <Target> (420)
Others

>  <Form> (420)
Free Base

>  <URL> (420)
http://www.selleckchem.com/products/Taurine.html

>  <CAS Number> (420)
107-35-7

$$$$
Silibinin.cdx
csChFnd80/07171813022D

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602

>  <Formula> (421)
C25H22O10

>  <MolWeight> (421)
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>  <Item Name> (421)
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>  <Catalog Number> (421)
S2357

>  <Synonyms> (421)
Silybin

>  <Target> (421)
Others

>  <Form> (421)
Free Base

>  <URL> (421)
http://www.selleckchem.com/products/Silibinin(Silybin).html

>  <CAS Number> (421)
22888-70-6

$$$$
Troxerutin.cdx
csChFnd80/07171813022D

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    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
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 10  5  1  0  0  0  0
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 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
 15 16  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
  6 33  1  0  0  0  0
  2 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 32 38  1  6  0  0  0
 38 39  1  0  0  0  0
 40 39  1  6  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 40  1  0  0  0  0
 30 46  1  6  0  0  0
 44 47  1  1  0  0  0
 42 48  1  1  0  0  0
 43 49  1  6  0  0  0
 41 50  1  1  0  0  0
 31 51  1  1  0  0  0
 29 52  1  1  0  0  0
M  END
>  <Mol_ID> (422)
612

>  <Formula> (422)
C33H42O19

>  <MolWeight> (422)
742.67518

>  <Item Name> (422)
Troxerutin

>  <Catalog Number> (422)
S2369

>  <Synonyms> (422)
Trihydroxyethylrutin, Troxerutin

>  <Target> (422)
Thrombin

>  <Form> (422)
Free Base

>  <URL> (422)
http://www.selleckchem.com/products/Troxerutin.html

>  <CAS Number> (422)
7085-55-4

$$$$
Yohimbine hydrochloride.cdx
csChFnd80/07171813022D

 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
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    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
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    6.7529    2.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  2  3  2  0  0  0  0
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  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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  2 10  1  0  0  0  0
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 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
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 17 11  1  0  0  0  0
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 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> (423)
616

>  <Formula> (423)
C21H27ClN2O3

>  <MolWeight> (423)
390.90368

>  <Item Name> (423)
Yohimbine hydrochloride (Antagonil)

>  <Catalog Number> (423)
S2373

>  <Synonyms> (423)
Antagonil, Yohimbe, Aphrodine hydrochloride, Yohimbine monohydrochloride 

>  <Target> (423)
NULL

>  <Form> (423)
Hydrochloride

>  <URL> (423)
http://www.selleckchem.com/products/Yohimbine-hydrochloride(Antagonil).html

>  <CAS Number> (423)
65-19-0 

$$$$
5-HTP.cdx
csChFnd80/07171813022D

 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
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    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (424)
617

>  <Formula> (424)
C11H12N2O3

>  <MolWeight> (424)
220.22458

>  <Item Name> (424)
5-hydroxytryptophan (5-HTP)

>  <Catalog Number> (424)
S2374

>  <Synonyms> (424)
N/A 

>  <Target> (424)
Others

>  <Form> (424)
Free Base

>  <URL> (424)
http://www.selleckchem.com/products/5-hydroxytryptophan(5-HTP).html

>  <CAS Number> (424)
56-69-9

$$$$
Ammonium Glycyrrhizinate.cdx
csChFnd80/07171813022D

 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
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   10.9077    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   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
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   19.3800   15.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7274   11.6011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1416    0.2188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 20 25  1  6  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
  4 30  1  6  0  0  0
  5 31  1  6  0  0  0
  1 32  1  1  0  0  0
  1 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 13 36  2  0  0  0  0
  9 37  1  1  0  0  0
 12 38  1  1  0  0  0
 17 39  1  1  0  0  0
 24 40  1  1  0  0  0
 26 41  1  1  0  0  0
 28 42  1  1  0  0  0
 11 43  1  6  0  0  0
 18 44  1  6  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 27 47  1  6  0  0  0
 41 48  1  0  0  0  0
 41 49  2  0  0  0  0
 29 50  1  6  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 56 51  1  0  0  0  0
 55 57  1  6  0  0  0
 53 58  1  6  0  0  0
 54 59  1  1  0  0  0
 52 60  1  1  0  0  0
 57 61  2  0  0  0  0
 57 62  1  0  0  0  0
 51 63  1  1  0  0  0
M  END
>  <Mol_ID> (425)
619

>  <Formula> (425)
C42H65NO16

>  <MolWeight> (425)
839.9626

>  <Item Name> (425)
Ammonium Glycyrrhizinate (AMGZ)

>  <Catalog Number> (425)
S2376

>  <Synonyms> (425)
AMGZ

>  <Target> (425)
Dehydrogenase

>  <Form> (425)
Glycyrrhizic acid salt

>  <URL> (425)
http://www.selleckchem.com/products/Ammonium-Glycyrrhizinate(AMGZ).html

>  <CAS Number> (425)
1407-03-0

$$$$
Butylscopolamine bromide.cdx
csChFnd80/07171813022D

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.5396    6.5698    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    8.4722    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8970    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0473    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    2.0927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0999    5.4760    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7970    4.9642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3953    6.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6783    6.7887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0999    8.2398    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    3.9638    6.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    5.0225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6783    7.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0550    7.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3908    3.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065    4.0809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2597    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4679    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8874    8.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2498   10.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2632   11.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6243   12.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1549    9.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 15  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 17 19  1  0  0  0  0
 19  8  1  6  0  0  0
 14 20  1  6  0  0  0
 13 21  1  6  0  0  0
 12 22  1  6  0  0  0
 11 23  1  1  0  0  0
 10 24  1  1  0  0  0
  9 25  2  0  0  0  0
 24 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
>  <Mol_ID> (426)
621

>  <Formula> (426)
C21H30BrNO4

>  <MolWeight> (426)
440.3712

>  <Item Name> (426)
Butylscopolamine bromide (Scopolamine butylb

>  <Catalog Number> (426)
S2378

>  <Synonyms> (426)
Scopolamine butylbromide, Butylhyoscine

>  <Target> (426)
Others

>  <Form> (426)
Bromide

>  <URL> (426)
http://www.selleckchem.com/products/Butylscopolamine-bromide(Scopolamine-butylbromide).html

>  <CAS Number> (426)
149-64-4

$$$$
D-Mannitol.cdx
csChFnd80/07171813022D

 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> (427)
624

>  <Formula> (427)
C6H14O6

>  <MolWeight> (427)
182.17176

>  <Item Name> (427)
D-Mannitol (Osmitrol)

>  <Catalog Number> (427)
S2381 

>  <Synonyms> (427)
Mannitol, Osmitrol, Osmofundin

>  <Target> (427)
Others

>  <Form> (427)
Free Base

>  <URL> (427)
http://www.selleckchem.com/products/D-Mannitol(Osmitrol).html

>  <CAS Number> (427)
69-65-8 

$$$$
L-carnitine.cdx
csChFnd80/07171813022D

 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> (428)
631

>  <Formula> (428)
C7H15NO3

>  <MolWeight> (428)
161.1989

>  <Item Name> (428)
L-carnitine (Levocarnitine)

>  <Catalog Number> (428)
S2388

>  <Synonyms> (428)
Levocarnitine, Carnitor, vitamin BT, Karnitin

>  <Target> (428)
Others

>  <Form> (428)
quaternary-N  salt

>  <URL> (428)
http://www.selleckchem.com/products/L-carnitine(Levocarnitine).html

>  <CAS Number> (428)
541-15-1

$$$$
Sorbitol.cdx
csChFnd80/07171813022D

 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> (429)
636

>  <Formula> (429)
C6H14O6

>  <MolWeight> (429)
182.17176

>  <Item Name> (429)
Sorbitol (Glucitol)

>  <Catalog Number> (429)
S2393

>  <Synonyms> (429)
Glucitol 

>  <Target> (429)
Others

>  <Form> (429)
Free Base

>  <URL> (429)
http://www.selleckchem.com/products/Sorbitol(Glucitol).html

>  <CAS Number> (429)
50-70-4 

$$$$
Pramipexole.cdx
csChFnd80/07171813022D

 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> (430)
642

>  <Formula> (430)
C10H21Cl2N3OS

>  <MolWeight> (430)
302.26424

>  <Item Name> (430)
Pramipexole dihydrochloride monohydrate 

>  <Catalog Number> (430)
S2011

>  <Synonyms> (430)
Mirapex 

>  <Target> (430)
Dopamine Receptor

>  <Form> (430)
Dihydrochloride monohydrate

>  <URL> (430)
http://www.selleckchem.com/products/Pramipexole-dihydrochloride-monohydrate.html

>  <CAS Number> (430)
191217-81-9

$$$$
TRANCOPAL (chlormezanone).cdx
csChFnd80/07171813022D

 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> (431)
643

>  <Formula> (431)
C11H12ClNO3S

>  <MolWeight> (431)
273.73588

>  <Item Name> (431)
Chlormezanone (Trancopal)

>  <Catalog Number> (431)
S2021

>  <Synonyms> (431)
Trancopal

>  <Target> (431)
Others

>  <Form> (431)
Free Base

>  <URL> (431)
http://www.selleckchem.com/products/Chlormezanone(Trancopal).html

>  <CAS Number> (431)
80-77-3

$$$$
ATACAND (candesartan cilexetil).cdx
csChFnd80/07171813022D

 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
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   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
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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
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 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> (432)
644

>  <Formula> (432)
C33H34N6O6

>  <MolWeight> (432)
610.65966

>  <Item Name> (432)
Candesartan cilexetil (Atacand)

>  <Catalog Number> (432)
S2037

>  <Synonyms> (432)
Atacand, Amias, Blopress, Ratacand, TCV 116, TCY 116 

>  <Target> (432)
RAAS

>  <Form> (432)
Free Base

>  <URL> (432)
http://www.selleckchem.com/products/Candesartan-cilexetil-Atacand.html

>  <CAS Number> (432)
145040-37-5

$$$$
dextrose.cdx
csChFnd80/07171813022D

 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> (433)
645

>  <Formula> (433)
C6H12O6

>  <MolWeight> (433)
180.15588

>  <Item Name> (433)
Dextrose (D-glucose)

>  <Catalog Number> (433)
S2123

>  <Synonyms> (433)
D-glucose, Grape sugar 

>  <Target> (433)
Others

>  <Form> (433)
Free Base

>  <URL> (433)
http://www.selleckchem.com/products/Dextrose(D-glucose).html

>  <CAS Number> (433)
50-99-7

$$$$
XYLO-PFAN (xylose).cdx
csChFnd80/07171813022D

 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> (434)
646

>  <Formula> (434)
C5H10O5

>  <MolWeight> (434)
150.1299

>  <Item Name> (434)
Xylose

>  <Catalog Number> (434)
S2124

>  <Synonyms> (434)
N/A

>  <Target> (434)
Others

>  <Form> (434)
Free Base

>  <URL> (434)
http://www.selleckchem.com/products/Xylose.html

>  <CAS Number> (434)
25990-60-7

$$$$
mestranol.cdx
csChFnd80/07171813022D

 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
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    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7869    6.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 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> (435)
647

>  <Formula> (435)
C21H26O2

>  <MolWeight> (435)
310.42994

>  <Item Name> (435)
Mestranol

>  <Catalog Number> (435)
S2125

>  <Synonyms> (435)
N/A

>  <Target> (435)
NULL

>  <Form> (435)
Free Base

>  <URL> (435)
http://www.selleckchem.com/products/Mestranol.html

>  <CAS Number> (435)
72-33-3

$$$$
Naftopidil.cdx
csChFnd80/07171813022D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7000    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.4806    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1806    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6757    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5781    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    6.0453    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 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
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
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 23 24  1  0  0  0  0
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 27 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (436)
648

>  <Formula> (436)
C24H28N2O3

>  <MolWeight> (436)
392.49072

>  <Item Name> (436)
Naftopidil (Flivas)

>  <Catalog Number> (436)
S2126

>  <Synonyms> (436)
KT-611, BM-15275 

>  <Target> (436)
Adrenergic Receptor

>  <Form> (436)
Free Base

>  <URL> (436)
http://www.selleckchem.com/products/Naftopidil(Flivas).html

>  <CAS Number> (436)
57149-07-2

$$$$
S-(+)-Rolipram.cdx
csChFnd80/07171813022D

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.6538    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8663    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4456    4.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    1.2474    3.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    1.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2869    1.6834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    9.8027    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 15  4  1  6  0  0  0
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 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> (437)
649

>  <Formula> (437)
C16H21NO3

>  <MolWeight> (437)
275.34284

>  <Item Name> (437)
S-(+)-Rolipram

>  <Catalog Number> (437)
S2127

>  <Synonyms> (437)
N/A

>  <Target> (437)
PDE

>  <Form> (437)
Free Base

>  <URL> (437)
http://www.selleckchem.com/products/sRolipram.html

>  <CAS Number> (437)
85416-73-5

$$$$
Fudosteine.cdx
csChFnd80/07171813022D

 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
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  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> (438)
650

>  <Formula> (438)
C6H13NO3S

>  <MolWeight> (438)
179.23732

>  <Item Name> (438)
Fudosteine

>  <Catalog Number> (438)
S2129

>  <Synonyms> (438)
N/A

>  <Target> (438)
Others

>  <Form> (438)
Free Base

>  <URL> (438)
http://www.selleckchem.com/products/Fudosteine.html

>  <CAS Number> (438)
13189-98-5

$$$$
Atropine sulfate monohydrate.cdx
csChFnd80/07171813022D

 52 54  0  0  0  0  0  0  0  0999 V2000
   14.8667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    8.5264    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6667    8.5264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    9.9216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2667    7.1313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5599    3.8014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0829   13.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7404   13.7361    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0668   12.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0713   14.8949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7520   12.5772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7565   14.9027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   14.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7364   10.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    4.7364    4.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0962    4.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764    5.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151    7.5783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3265    7.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3265    5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    5.2304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7864    6.4156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7698    5.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7680    7.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1058    6.3804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4040    3.9363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3668    8.8937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1334    6.4156    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
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
 10 13  1  0  0  0  0
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 18  9  1  0  0  0  0
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 26 11  1  6  0  0  0
 22 27  1  1  0  0  0
 19 28  1  1  0  0  0
 23 29  1  0  0  0  0
 30 31  1  0  0  0  0
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 31 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  2  0  0  0  0
 33 36  1  0  0  0  0
 32 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 32  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 42 46  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 42 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 49  1  0  0  0  0
 49 34  1  6  0  0  0
 45 50  1  1  0  0  0
 42 51  1  1  0  0  0
 46 52  1  0  0  0  0
M  END
>  <Mol_ID> (439)
651

>  <Formula> (439)
C34H50N2O11S

>  <MolWeight> (439)
694.8326

>  <Item Name> (439)
Atropine sulfate monohydrate

>  <Catalog Number> (439)
S2130

>  <Synonyms> (439)
Tropine 

>  <Target> (439)
AChR

>  <Form> (439)
Sulfate monohydrate

>  <URL> (439)
http://www.selleckchem.com/products/Atropine-sulfate-monohydrate.html

>  <CAS Number> (439)
5908-99-6

$$$$
Roflumilast.cdx
csChFnd80/07171813022D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    0.7024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 Cl  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
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (440)
652

>  <Formula> (440)
C17H14Cl2F2N2O3

>  <MolWeight> (440)
403.2074664

>  <Item Name> (440)
Roflumilast (Daxas)

>  <Catalog Number> (440)
S2131

>  <Synonyms> (440)
Daxas

>  <Target> (440)
PDE

>  <Form> (440)
Free Base

>  <URL> (440)
http://www.selleckchem.com/products/Roflumilast(Daxas).html

>  <CAS Number> (440)
162401-32-3

$$$$
NEURONTIN (gabapentin).cdx
csChFnd80/07171813022D

 12 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
    3.6331    2.7976    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
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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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M  END
>  <Mol_ID> (441)
653

>  <Formula> (441)
C9H17NO2

>  <MolWeight> (441)
171.23678

>  <Item Name> (441)
Gabapentin (Neurontin)

>  <Catalog Number> (441)
S2133

>  <Synonyms> (441)
Fanatrex, Gabarone, Neurontin

>  <Target> (441)
GABA Receptor

>  <Form> (441)
Free Base

>  <URL> (441)
http://www.selleckchem.com/products/Gabapentin(Neurontin).html

>  <CAS Number> (441)
60142-96-3

$$$$
E7080.cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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    4.8273    4.2248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6020    2.1323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (442)
654

>  <Formula> (442)
C21H19ClN4O4

>  <MolWeight> (442)
426.85296

>  <Item Name> (442)
E7080 (Lenvatinib)

>  <Catalog Number> (442)
S1164 

>  <Synonyms> (442)
N/A

>  <Target> (442)
VEGFR

>  <Form> (442)
Free Base

>  <URL> (442)
http://www.selleckchem.com/products/E7080.html

>  <CAS Number> (442)
417716-92-8

$$$$
Biotin.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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  6  8  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 14  2  0  0  0  0
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M  END
>  <Mol_ID> (443)
656

>  <Formula> (443)
C10H16N2O3S

>  <MolWeight> (443)
244.31064

>  <Item Name> (443)
Biotin (Vitamin B7)

>  <Catalog Number> (443)
S3130

>  <Synonyms> (443)
N/A

>  <Target> (443)
Vitamin

>  <Form> (443)
Free Base

>  <URL> (443)
http://www.selleckchem.com/products/biotin-vitamin-b7.html

>  <CAS Number> (443)
58-85-5

$$$$
Dexamethasone acetate.cdx
csChFnd80/07171813022D

 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
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  9  1  0  0  0  0
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 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 14 27  1  1  0  0  0
  9 28  1  1  0  0  0
 12 29  1  1  0  0  0
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 17 32  1  6  0  0  0
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M  END
>  <Mol_ID> (444)
658

>  <Formula> (444)
C24H31FO6

>  <MolWeight> (444)
434.4977432

>  <Item Name> (444)
Dexamethasone acetate

>  <Catalog Number> (444)
S3124

>  <Synonyms> (444)
N/A

>  <Target> (444)
IL Receptor,Autophagy

>  <Form> (444)
Free Base

>  <URL> (444)
http://www.selleckchem.com/products/dexamethasone-acetate.html

>  <CAS Number> (444)
1177-87-3

$$$$
Ethynodiol diacetate.cdx
csChFnd80/07171813022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (445)
660

>  <Formula> (445)
C24H32O4

>  <MolWeight> (445)
384.50848

>  <Item Name> (445)
Ethynodiol diacetate

>  <Catalog Number> (445)
S3160

>  <Synonyms> (445)
N/A 

>  <Target> (445)
Estrogen/progestogen Receptor

>  <Form> (445)
Free Base

>  <URL> (445)
http://www.selleckchem.com/products/ethynodiol-diacetate.html

>  <CAS Number> (445)
297-76-7

$$$$
Atomoxetine hydrochloride.cdx
csChFnd80/07171813022D

 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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    0.0000    1.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5920    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
  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
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M  END
>  <Mol_ID> (446)
661

>  <Formula> (446)
C17H22ClNO

>  <MolWeight> (446)
291.81568

>  <Item Name> (446)
Atomoxetine HCl

>  <Catalog Number> (446)
S3175

>  <Synonyms> (446)
N/A 

>  <Target> (446)
5-HT Receptor

>  <Form> (446)
hydrochloride

>  <URL> (446)
http://www.selleckchem.com/products/atomoxetine-hydrochloride.html

>  <CAS Number> (446)
82248-59-7

$$$$
Neratinib.cdx
csChFnd80/07171813022D

 40 43  0  0  0  0  0  0  0  0999 V2000
    7.2536    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (447)
664

>  <Formula> (447)
C30H29ClN6O3

>  <MolWeight> (447)
557.04266

>  <Item Name> (447)
Neratinib (HKI-272)

>  <Catalog Number> (447)
S2150

>  <Synonyms> (447)
N/A 

>  <Target> (447)
HER2, EGFR

>  <Form> (447)
Free Base

>  <URL> (447)
http://www.selleckchem.com/products/Neratinib(HKI-272).html

>  <CAS Number> (447)
698387-09-6

$$$$
Methenamine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (448)
665

>  <Formula> (448)
C6H12N4

>  <MolWeight> (448)
140.18628

>  <Item Name> (448)
Methenamine (Mandelamine)

>  <Catalog Number> (448)
S3139

>  <Synonyms> (448)
N/A 

>  <Target> (448)
Antifection

>  <Form> (448)
Free Base

>  <URL> (448)
http://www.selleckchem.com/products/methenamine-mandelamine.html

>  <CAS Number> (448)
100-97-0 

$$$$
Moguisteine.cdx
csChFnd80/07171813022D

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  1  2  2  0  0  0  0
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M  END
>  <Mol_ID> (449)
666

>  <Formula> (449)
C16H21NO5S

>  <MolWeight> (449)
339.40664

>  <Item Name> (449)
Moguisteine

>  <Catalog Number> (449)
S3104

>  <Synonyms> (449)
N/A 

>  <Target> (449)
Others

>  <Form> (449)
Free Base

>  <URL> (449)
http://www.selleckchem.com/products/moguisteine.html

>  <CAS Number> (449)
119637-67-1

$$$$
Nadifloxacin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (450)
667

>  <Formula> (450)
C19H21FN2O4

>  <MolWeight> (450)
360.3794432

>  <Item Name> (450)
Nadifloxacin

>  <Catalog Number> (450)
S3105

>  <Synonyms> (450)
Nadixa 

>  <Target> (450)
Antifection

>  <Form> (450)
Free Base

>  <URL> (450)
http://www.selleckchem.com/products/nadifloxacin.html

>  <CAS Number> (450)
124858-35-1

$$$$
Amitriptyline hydrochloride.cdx
csChFnd80/07171813022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (451)
668

>  <Formula> (451)
C20H24ClN

>  <MolWeight> (451)
313.86426

>  <Item Name> (451)
Amitriptyline HCl 

>  <Catalog Number> (451)
S3183

>  <Synonyms> (451)
N/A 

>  <Target> (451)
5-HT Receptor

>  <Form> (451)
hydrochloride

>  <URL> (451)
http://www.selleckchem.com/products/amitriptyline-hydrochloride.html

>  <CAS Number> (451)
549-18-8

$$$$
LDE225.cdx
csChFnd80/07171813022D

 35 38  0  0  0  0  0  0  0  0999 V2000
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669

>  <Formula> (452)
C26H26F3N3O3

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LDE225 (NVP-LDE225, Erismodegib)

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S2151

>  <Synonyms> (452)
N/A 

>  <Target> (452)
Smoothened

>  <Form> (452)
Free Base

>  <URL> (452)
http://www.selleckchem.com/products/LDE225(NVP-LDE225).html

>  <CAS Number> (452)
956697-53-3

$$$$
Dabigatran etexilate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (453)
670

>  <Formula> (453)
C34H41N7O5

>  <MolWeight> (453)
627.73324

>  <Item Name> (453)
BIBR-1048 (Dabigatran)

>  <Catalog Number> (453)
S2154

>  <Synonyms> (453)
N/A 

>  <Target> (453)
Thrombin

>  <Form> (453)
Free Base

>  <URL> (453)
http://www.selleckchem.com/products/BIBR-1048(Dabigatran-etexilate).html

>  <CAS Number> (453)
211915-06-9

$$$$
Tebipenem pivoxil.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (454)
672

>  <Formula> (454)
C22H31N3O6S2

>  <MolWeight> (454)
497.62804

>  <Item Name> (454)
Tebipenem pivoxil (L-084)

>  <Catalog Number> (454)
S2159

>  <Synonyms> (454)
L-084, TBPM-PI, ME1211 

>  <Target> (454)
Antifection

>  <Form> (454)
Free Base

>  <URL> (454)
http://www.selleckchem.com/products/Tebipenem-pivoxil(L-084).html

>  <CAS Number> (454)
161715-24-8

$$$$
Cyclophosphamide monohydrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (455)
676

>  <Formula> (455)
C7H17Cl2N2O3P

>  <MolWeight> (455)
279.101241

>  <Item Name> (455)
Cyclophosphamide monohydrate

>  <Catalog Number> (455)
S2057

>  <Synonyms> (455)
N/A

>  <Target> (455)
DNA alkylator

>  <Form> (455)
Monohydrate

>  <URL> (455)
http://www.selleckchem.com/products/cyclophosphamide-monohydrate.html

>  <CAS Number> (455)
6055-19-2

$$$$
LY2784544.cdx
csChFnd80/07171813022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (456)
679

>  <Formula> (456)
C23H25ClFN7O

>  <MolWeight> (456)
469.9423032

>  <Item Name> (456)
Gandotinib (LY2784544)

>  <Catalog Number> (456)
S2179

>  <Synonyms> (456)
N/A

>  <Target> (456)
JAK 

>  <Form> (456)
Free Base

>  <URL> (456)
http://www.selleckchem.com/products/LY2784544.html

>  <CAS Number> (456)
1229236-86-5

$$$$
MLN2238.cdx
csChFnd80/07171813022D

 23 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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  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
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 13 14  1  0  0  0  0
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M  END
>  <Mol_ID> (457)
680

>  <Formula> (457)
C14H19BCl2N2O4

>  <MolWeight> (457)
361.02866

>  <Item Name> (457)
Ixazomib (MLN2238)

>  <Catalog Number> (457)
S2180

>  <Synonyms> (457)
N/A

>  <Target> (457)
Proteasome 

>  <Form> (457)
Free Base

>  <URL> (457)
http://www.selleckchem.com/products/MLN-2238.html

>  <CAS Number> (457)
1072833-77-2

$$$$
DESLORATADINE (desloratadine).cdx
csChFnd80/07171813022D

 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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    5.2701    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6972    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 13  7  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17  9  1  0  0  0  0
 12 18  1  0  0  0  0
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 21 13  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (458)
681

>  <Formula> (458)
C19H19ClN2

>  <MolWeight> (458)
310.82056

>  <Item Name> (458)
Desloratadine 

>  <Catalog Number> (458)
S4012

>  <Synonyms> (458)
N/A

>  <Target> (458)
Histamine Receptor

>  <Form> (458)
Free Base

>  <URL> (458)
http://www.selleckchem.com/products/desloratadine.html

>  <CAS Number> (458)
100643-71-8

$$$$
Ornidazole.cdx
csChFnd80/07171813022D

 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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    1.2790    2.8436    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1742    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5388    1.6169    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9700    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4724    2.6537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9611    4.3665    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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  3  4  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (459)
682

>  <Formula> (459)
C7H10ClN3O3

>  <MolWeight> (459)
219.6256

>  <Item Name> (459)
Ornidazole

>  <Catalog Number> (459)
S3121

>  <Synonyms> (459)
N/A 

>  <Target> (459)
Antifection

>  <Form> (459)
Free Base

>  <URL> (459)
http://www.selleckchem.com/products/ornidazole.html

>  <CAS Number> (459)
16773-42-5

$$$$
Oxybutynin chloride.cdx
csChFnd80/07171813022D

 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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    3.6458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8624    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6458    4.2097    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4333    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13 14  1  0  0  0  0
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 15  8  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (460)
683

>  <Formula> (460)
C22H32ClNO3

>  <MolWeight> (460)
393.94738

>  <Item Name> (460)
Oxybutynin chloride

>  <Catalog Number> (460)
S3117

>  <Synonyms> (460)
N/A 

>  <Target> (460)
AChR

>  <Form> (460)
Chloride

>  <URL> (460)
http://www.selleckchem.com/products/oxybutynin-chloride.html

>  <CAS Number> (460)
1508-65-2

$$$$
MLN9708.cdx
csChFnd80/07171813022D

 34 35  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (461)
684

>  <Formula> (461)
C20H23BCl2N2O9

>  <MolWeight> (461)
517.12162

>  <Item Name> (461)
Ixazomib Citrate (MLN9708)

>  <Catalog Number> (461)
S2181

>  <Synonyms> (461)
N/A

>  <Target> (461)
Proteasome

>  <Form> (461)
Free Base

>  <URL> (461)
http://www.selleckchem.com/products/MLN9708.html

>  <CAS Number> (461)
1201902-80-8

$$$$
ivermectin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (462)
686

>  <Formula> (462)
C48H74O14

>  <MolWeight> (462)
875.09276

>  <Item Name> (462)
Ivermectin

>  <Catalog Number> (462)
S1351

>  <Synonyms> (462)
Stromectol

>  <Target> (462)
Antifection

>  <Form> (462)
Free Base

>  <URL> (462)
http://www.selleckchem.com/products/Ivermectin.html

>  <CAS Number> (462)
70288-86-7

$$$$
AVC (sulfanilamide).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (463)
687

>  <Formula> (463)
C6H8N2O2S

>  <MolWeight> (463)
172.20492

>  <Item Name> (463)
Sulfanilamide

>  <Catalog Number> (463)
S1685

>  <Synonyms> (463)
N/A

>  <Target> (463)
Antifection

>  <Form> (463)
Free Base

>  <URL> (463)
http://www.selleckchem.com/products/Sulfanilamide.html

>  <CAS Number> (463)
63-74-1

$$$$
Formestane.cdx
csChFnd80/07171813022D

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  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (464)
701

>  <Formula> (464)
C19H26O3

>  <MolWeight> (464)
302.40794

>  <Item Name> (464)
Formestane

>  <Catalog Number> (464)
S2208

>  <Synonyms> (464)
Lentaron(R), 17-dione, CGP-32349, NSC 282175 

>  <Target> (464)
Aromatase 

>  <Form> (464)
Free Base

>  <URL> (464)
http://www.selleckchem.com/products/Formestane.html

>  <CAS Number> (464)
566-48-3

$$$$
R 788.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (465)
702

>  <Formula> (465)
C23H24FN6Na2O9P

>  <MolWeight> (465)
624.4231642

>  <Item Name> (465)
R935788 (Fostamatinib disodium)

>  <Catalog Number> (465)
S2206

>  <Synonyms> (465)
N/A 

>  <Target> (465)
Syk

>  <Form> (465)
Sodium Salt

>  <URL> (465)
http://www.selleckchem.com/products/R788(Fostamatinib-disodium).html

>  <CAS Number> (465)
1025687-58-4

$$$$
Mubritinib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (466)
706

>  <Formula> (466)
C25H23F3N4O2

>  <MolWeight> (466)
468.4709296

>  <Item Name> (466)
Mubritinib (TAK 165)

>  <Catalog Number> (466)
S2216

>  <Synonyms> (466)
TAK 165, TAK165

>  <Target> (466)
HER2

>  <Form> (466)
Free Base

>  <URL> (466)
http://www.selleckchem.com/products/Mubritinib-TAK-165.html

>  <CAS Number> (466)
366017-09-6

$$$$
irinotecan.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (467)
707

>  <Formula> (467)
C33H45ClN4O9

>  <MolWeight> (467)
677.1848

>  <Item Name> (467)
Irinotecan HCl Trihydrate (Campto)

>  <Catalog Number> (467)
S2217 

>  <Synonyms> (467)
CPT 11, Camptosar, Campto, Irinotecan 

>  <Target> (467)
Topoisomerase

>  <Form> (467)
HCl & trihydrat

>  <URL> (467)
http://www.selleckchem.com/products/Irinotecan-Hcl-Trihydrate-Campto.html

>  <CAS Number> (467)
136572-09-3

$$$$
(-)-Huperzine A.cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.2889    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5014    4.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9014    4.9854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6513    2.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8637    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5390    6.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    7.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    6.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0614    5.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637    2.4207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6637    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7613    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
  1  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 10  5  1  0  0  0  0
  3 13  1  6  0  0  0
  5 14  1  1  0  0  0
  8 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  9  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (468)
713

>  <Formula> (468)
C15H18N2O

>  <MolWeight> (468)
242.31622

>  <Item Name> (468)
(-)-Huperzine A (HupA)

>  <Catalog Number> (468)
S2251

>  <Synonyms> (468)
N/A

>  <Target> (468)
AChR & GluR

>  <Form> (468)
Free Base

>  <URL> (468)
http://www.selleckchem.com/products/(-)-Huperzine-A.html

>  <CAS Number> (468)
102518-79-6

$$$$
Ipriflavone.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 O   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
    2.4165    0.0024    0.0000 O   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
    7.2620    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.7976    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
   12.1075    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.1976    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
    9.6826    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
  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
  2 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
 10 15  2  0  0  0  0
  9 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> (469)
722

>  <Formula> (469)
C18H16O3

>  <MolWeight> (469)
280.31784

>  <Item Name> (469)
Ipriflavone

>  <Catalog Number> (469)
S2422 

>  <Synonyms> (469)
N/A 

>  <Target> (469)
Others

>  <Form> (469)
Free Base

>  <URL> (469)
http://www.selleckchem.com/products/ipriflavone.html

>  <CAS Number> (469)
35212-22-7

$$$$
>  <Mol_ID> (470)
728

>  <Item Name> (470)
Azithromycin

>  <Catalog Number> (470)
s1835

>  <Synonyms> (470)
CP-62993, XZ-450

>  <Target> (470)
autophagy

>  <Form> (470)
Free Base

>  <URL> (470)
http://www.selleckchem.com/products/azithromycin-zithromax.h

>  <CAS Number> (470)
83905-01-5

$$$$
AMLODIPINE (amlodipine).cdx
csChFnd80/07171813022D

 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
    4.8497    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (471)
739

>  <Formula> (471)
C20H25ClN2O5

>  <MolWeight> (471)
408.8759

>  <Item Name> (471)
Amlodipine (Norvasc)

>  <Catalog Number> (471)
S1905

>  <Synonyms> (471)
Istin, Norvasc, Caduet

>  <Target> (471)
Calcium Channel

>  <Form> (471)
Free Base

>  <URL> (471)
http://www.selleckchem.com/products/Amlodipine(Norvasc).html

>  <CAS Number> (471)
88150-42-9

$$$$
Cyclosporin A.cdx
csChFnd80/07171813022D

 85 85  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    6.3097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    8.4171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   12.1497    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    7.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830    8.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663    9.1195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    6.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0163    8.4171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7997    9.1195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4496    8.4171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330    9.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.9073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    2.8049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   11.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540   12.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997   10.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3663   10.5244    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1497   11.2268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5788   11.2244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5788   12.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   13.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3621   14.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1455   15.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2330   10.5195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6621    9.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    2.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7121    2.8049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3494    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.1049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9867    2.8049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    2.8049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4116    4.2098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4997    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    2.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    4.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3494    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5619    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9867    0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7065    5.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1992    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6241    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8365    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1141    5.4264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (472)
740

>  <Formula> (472)
C62H111N11O12

>  <MolWeight> (472)
1202.61124

>  <Item Name> (472)
Cyclosporin A

>  <Catalog Number> (472)
S2286

>  <Synonyms> (472)
Cyclosporine A

>  <Target> (472)
phosphatase

>  <Form> (472)
Free Base

>  <URL> (472)
http://www.selleckchem.com/products/Cyclosporin-A(Cyclosporine-A).html

>  <CAS Number> (472)
59865-13-3

$$$$
dihydroartemisinin.cdx
csChFnd80/07171813022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  4  1  0  0  0  0
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 14  5  1  0  0  0  0
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M  END
>  <Mol_ID> (473)
742

>  <Formula> (473)
C15H24O5

>  <MolWeight> (473)
284.34806

>  <Item Name> (473)
Dihydroartemisinin (DHA)

>  <Catalog Number> (473)
S2290

>  <Synonyms> (473)
N/A 

>  <Target> (473)
Others

>  <Form> (473)
Free Base

>  <URL> (473)
http://www.selleckchem.com/products/Dihydroartemisinin(DHA).html

>  <CAS Number> (473)
71939-50-9

$$$$
Diosmin.cdx
csChFnd80/07171813022D

 43 47  0  0  0  0  0  0  0  0999 V2000
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   10.8951    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (474)
744

>  <Formula> (474)
C28H32O15

>  <MolWeight> (474)
608.54468

>  <Item Name> (474)
Diosmin

>  <Catalog Number> (474)
S2292

>  <Synonyms> (474)
N/A

>  <Target> (474)
Others

>  <Form> (474)
Free Base

>  <URL> (474)
http://www.selleckchem.com/products/Diosmin.html

>  <CAS Number> (474)
520-27-4

$$$$
DL-Carnitine hydrochloride.cdx
csChFnd80/07171813022D

 12 10  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.9313    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    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
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  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (475)
745

>  <Formula> (475)
C7H16ClNO3

>  <MolWeight> (475)
197.65984

>  <Item Name> (475)
DL-Carnitine hydrochloride

>  <Catalog Number> (475)
S2293

>  <Synonyms> (475)
N/A

>  <Target> (475)
Others

>  <Form> (475)
Hydrochloride

>  <URL> (475)
http://www.selleckchem.com/products/DL-Carnitine-hydrochloride.html

>  <CAS Number> (475)
461-05-2

$$$$
Enoxolone.cdx
csChFnd80/07171813022D

 38 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    7.2704    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7053    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    9.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8977    8.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852   10.7851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  0  0  0  0
  5 25  1  1  0  0  0
  9 26  1  1  0  0  0
 18 27  1  1  0  0  0
 17 28  1  1  0  0  0
  2 29  1  6  0  0  0
  3 30  1  0  0  0  0
  4 31  1  6  0  0  0
 10 32  1  6  0  0  0
 11 33  1  6  0  0  0
 21 34  1  6  0  0  0
 21 35  1  1  0  0  0
 14 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (476)
748

>  <Formula> (476)
C30H46O4

>  <MolWeight> (476)
470.68384

>  <Item Name> (476)
Enoxolone (Glycyrrhetin)

>  <Catalog Number> (476)
S2296

>  <Synonyms> (476)
Glycyrrhetin, Uralenic acid 

>  <Target> (476)
Dehydrogenase

>  <Form> (476)
Free Base

>  <URL> (476)
http://www.selleckchem.com/products/Enoxolone(Glycyrrhetin).html

>  <CAS Number> (476)
471-53-4

$$$$
Tolbutamide.cdx
csChFnd80/07171813022D

 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
    3.6373    2.1000    0.0000 O   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
    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  1  7  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 15  1  0  0  0  0
 12 14  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (477)
758

>  <Formula> (477)
C12H18N2O3S

>  <MolWeight> (477)
270.34792

>  <Item Name> (477)
Tolbutamide

>  <Catalog Number> (477)
S2443 

>  <Synonyms> (477)
N/A 

>  <Target> (477)
Potassium Channel 

>  <Form> (477)
Free Base

>  <URL> (477)
http://www.selleckchem.com/products/tolbutamide.html

>  <CAS Number> (477)
64-77-7

$$$$
Nalidixic acid.cdx
csChFnd80/07171813022D

 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> (478)
777

>  <Formula> (478)
C12H12N2O3

>  <MolWeight> (478)
232.23528

>  <Item Name> (478)
Nalidixic acid (NegGram)

>  <Catalog Number> (478)
S2328

>  <Synonyms> (478)
NegGram, Nevigramon, Nalidixin, Uronidix 

>  <Target> (478)
Topoisomerase

>  <Form> (478)
Free Base

>  <URL> (478)
http://www.selleckchem.com/products/Nalidixic-acid(NegGram).html

>  <CAS Number> (478)
389-08-2

$$$$
OROTIC ACID.cdx
csChFnd80/07171813022D

 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> (479)
783

>  <Formula> (479)
C5H4N2O4

>  <MolWeight> (479)
156.09626

>  <Item Name> (479)
Orotic acid (6-Carboxyuracil)

>  <Catalog Number> (479)
S2336

>  <Synonyms> (479)
6-Carboxyuracil, Orodin, Oropur, Orotonin, Orotonsan 

>  <Target> (479)
Others

>  <Form> (479)
Free Base

>  <URL> (479)
http://www.selleckchem.com/products/Orotic-acid(6-Carboxyuracil).html

>  <CAS Number> (479)
65-86-1

$$$$
Piperine.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    0.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
  7 21  2  0  0  0  0
M  END
>  <Mol_ID> (480)
790

>  <Formula> (480)
C17H19NO3

>  <MolWeight> (480)
285.33766

>  <Item Name> (480)
Piperine (1-Piperoylpiperidine)

>  <Catalog Number> (480)
S2344

>  <Synonyms> (480)
Piperin 

>  <Target> (480)
P450 (e.g. CYP17)

>  <Form> (480)
Free Base

>  <URL> (480)
http://www.selleckchem.com/products/Piperine(1-Piperoylpiperidine).html

>  <CAS Number> (480)
94-62-2 

$$$$
Rutin DAB10.cdx
csChFnd80/07171813022D

 43 47  0  0  0  0  0  0  0  0999 V2000
    7.2620    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   13.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   13.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2620    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.6869    5.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0538    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    7.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1075   11.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 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> (481)
794

>  <Formula> (481)
C27H30O16

>  <MolWeight> (481)
610.5175

>  <Item Name> (481)
Rutin (Rutoside)

>  <Catalog Number> (481)
S2350

>  <Synonyms> (481)
Quercetin 3-rutinoside, Rutin trihydrate, Phytomelin, Birutan, Sophorin, Venoruton, Eldrin 

>  <Target> (481)
NULL

>  <Form> (481)
Free Base

>  <URL> (481)
http://www.selleckchem.com/products/Rutin(Rutoside).html

>  <CAS Number> (481)
153-18-4

$$$$
Amantadine HCl.cdx
csChFnd80/07171813022D

 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> (482)
806

>  <Formula> (482)
C10H18ClN

>  <MolWeight> (482)
187.70962

>  <Item Name> (482)
Amantadine hydrochloride (Symmetrel)

>  <Catalog Number> (482)
S2451

>  <Synonyms> (482)
Symmetrel

>  <Target> (482)
Dopamine Receptor

>  <Form> (482)
Hydrochloride

>  <URL> (482)
selleckchem.com/products/Amantadine-hydrochloride(Symmetrel).html

>  <CAS Number> (482)
665-66-7

$$$$
Amfebutamone HCl.cdx
csChFnd80/07171813022D

 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> (483)
807

>  <Formula> (483)
C13H19Cl2NO

>  <MolWeight> (483)
276.20206

>  <Item Name> (483)
Amfebutamone (Bupropion) HCl

>  <Catalog Number> (483)
S2452

>  <Synonyms> (483)
Wellbutrin, Zyban, Budeprion

>  <Target> (483)
Dopamine Receptor

>  <Form> (483)
Hydrochloride

>  <URL> (483)
http://www.selleckchem.com/products/Amfebutamone-hydrochloride(Bupropion).html

>  <CAS Number> (483)
31677-93-7

$$$$
Benserazide hydrochloride.cdx
csChFnd80/07171813022D

 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> (484)
808

>  <Formula> (484)
C10H16ClN3O5

>  <MolWeight> (484)
293.70414

>  <Item Name> (484)
Benserazide HCl

>  <Catalog Number> (484)
S2453

>  <Synonyms> (484)
Ro-4-4602

>  <Target> (484)
Dopamine Receptor

>  <Form> (484)
Hydrochloride

>  <URL> (484)
selleckchem.com/products/Benserazide-hydrochloride(Serazide).html

>  <CAS Number> (484)
14919-77-8

$$$$
Bupivacaine hydrochloride.cdx
csChFnd80/07171813022D

 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> (485)
809

>  <Formula> (485)
C18H29ClN2O

>  <MolWeight> (485)
324.88866

>  <Item Name> (485)
Bupivacaine hydrochloride (Marcain)

>  <Catalog Number> (485)
S2454

>  <Synonyms> (485)
Marcain, Marcaine, Sensorcaine, Vivacaine 

>  <Target> (485)
Sodium Channel

>  <Form> (485)
Hydrochloride

>  <URL> (485)
selleckchem.com/products/Bupivacaine-hydrochloride(Marcain).html

>  <CAS Number> (485)
18010-40-7

$$$$
Carbamyl-beta-methylcholine chloride.cdx
csChFnd80/07171813022D

 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> (486)
811

>  <Formula> (486)
C7H17ClN2O2

>  <MolWeight> (486)
196.67508

>  <Item Name> (486)
Bethanechol chloride

>  <Catalog Number> (486)
S2455

>  <Synonyms> (486)
N/A 

>  <Target> (486)
AChR

>  <Form> (486)
quaternary-N Chloride salt

>  <URL> (486)
selleckchem.com/products/Carbamyl-beta-methylcholine-chloride(Bethanechol-chloride).html

>  <CAS Number> (486)
590-63-6

$$$$
Chlorpromazine HCl.cdx
csChFnd80/07171813022D

 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> (487)
812

>  <Formula> (487)
C17H20Cl2N2S

>  <MolWeight> (487)
355.3251

>  <Item Name> (487)
Chlorpromazine HCl

>  <Catalog Number> (487)
S2456

>  <Synonyms> (487)
Sonazine

>  <Target> (487)
Dopamine Receptor, Potassium Channel

>  <Form> (487)
Hydrochloride

>  <URL> (487)
http://www.selleckchem.com/products/Chlorpromazine-hydrochloride(Sonazine).html

>  <CAS Number> (487)
69-09-0

$$$$
Clindamycin HCl.cdx
csChFnd80/07171813022D

 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
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    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
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    8.6250    5.3420    0.0000 C   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
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 10  4  1  0  0  0  0
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 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
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 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
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 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> (488)
813

>  <Formula> (488)
C18H34Cl2N2O5S

>  <MolWeight> (488)
461.44396

>  <Item Name> (488)
Clindamycin hydrochloride (Dalacin)

>  <Catalog Number> (488)
S2457

>  <Synonyms> (488)
Dalacin, Duac, BenzaClin,Clindoxyl, Acanya 

>  <Target> (488)
Antifection

>  <Form> (488)
Hydrochloride

>  <URL> (488)
http://www.selleckchem.com/products/Clindamycin-hydrochloride(Dalacin).html

>  <CAS Number> (488)
21462-39-5

$$$$
Clonidine HCl.cdx
csChFnd80/07171813022D

 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
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 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
M  END
>  <Mol_ID> (489)
814

>  <Formula> (489)
C9H10Cl3N3

>  <MolWeight> (489)
266.5548

>  <Item Name> (489)
Clonidine hydrochloride (Catapres)

>  <Catalog Number> (489)
S2458

>  <Synonyms> (489)
Catapres

>  <Target> (489)
Adrenergic Receptor

>  <Form> (489)
Hydrochloride

>  <URL> (489)
http://www.selleckchem.com/products/Clonidine-hydrochloride(Catapres).html

>  <CAS Number> (489)
4205-91-8

$$$$
Clozapine.cdx
csChFnd80/07171813022D

 23 26  0  0  0  0  0  0  0  0999 V2000
    5.2701    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5315    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8430    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9701    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6447    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9825    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5577    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8956    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1888    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  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> (490)
815

>  <Formula> (490)
C18H19ClN4

>  <MolWeight> (490)
326.82326

>  <Item Name> (490)
Clozapine (Clozaril)

>  <Catalog Number> (490)
S2459

>  <Synonyms> (490)
Leponex, Fazaclo

>  <Target> (490)
5-HT Receptor

>  <Form> (490)
Free Base

>  <URL> (490)
http://www.selleckchem.com/products/Clozapine(Clozaril).html

>  <CAS Number> (490)
5786-21-0

$$$$
Domperidone.cdx
csChFnd80/07171813022D

 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
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   12.6343    5.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5690    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5058    3.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0731    4.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    4.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5975    6.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8704    2.8503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 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
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  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> (491)
817

>  <Formula> (491)
C22H24ClN5O2

>  <MolWeight> (491)
425.91126

>  <Item Name> (491)
Domperidone (Motilium)

>  <Catalog Number> (491)
S2461

>  <Synonyms> (491)
Motilium, Motillium, Motinorm, Costi 

>  <Target> (491)
Dopamine Receptor

>  <Form> (491)
Free Base

>  <URL> (491)
http://www.selleckchem.com/products/Domperidone(Motilium).html

>  <CAS Number> (491)
57808-66-9

$$$$
Donepezil HCl.cdx
csChFnd80/07171813022D

 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
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    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
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   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
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  1  2  2  0  0  0  0
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  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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  6 10  1  0  0  0  0
  5 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 15  1  0  0  0  0
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 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> (492)
818

>  <Formula> (492)
C24H30ClNO3

>  <MolWeight> (492)
415.9529

>  <Item Name> (492)
Donepezil HCl (Aricept)

>  <Catalog Number> (492)
S2462

>  <Synonyms> (492)
N/A 

>  <Target> (492)
AChR

>  <Form> (492)
Hydrochloride

>  <URL> (492)
http://www.selleckchem.com/products/Donepezil-hydrochloride(Aricept).html

>  <CAS Number> (492)
120011-70-3

$$$$
Estriol.cdx
csChFnd80/07171813022D

 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
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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  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> (493)
819

>  <Formula> (493)
C18H24O3

>  <MolWeight> (493)
288.38136

>  <Item Name> (493)
Estriol

>  <Catalog Number> (493)
S2466

>  <Synonyms> (493)
Oestriol

>  <Target> (493)
Estrogen/progestogen Receptor

>  <Form> (493)
Free Base

>  <URL> (493)
http://www.selleckchem.com/products/Estriol(Oestriol).html

>  <CAS Number> (493)
50-27-1

$$$$
Famciclovir.cdx
csChFnd80/07171813022D

 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> (494)
820

>  <Formula> (494)
C14H19N5O4

>  <MolWeight> (494)
321.33176

>  <Item Name> (494)
Famciclovir (Famvir)

>  <Catalog Number> (494)
S2467

>  <Synonyms> (494)
Famvir

>  <Target> (494)
Antifection

>  <Form> (494)
Free Base

>  <URL> (494)
http://www.selleckchem.com/products/Famciclovir(Famvir).html

>  <CAS Number> (494)
104227-87-4

$$$$
Gallamine triethiodide.cdx
csChFnd80/07171813022D

 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
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    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> (495)
823

>  <Formula> (495)
C30H60I3N3O3

>  <MolWeight> (495)
891.52911

>  <Item Name> (495)
Gallamine triethiodide (Flaxedil)

>  <Catalog Number> (495)
S2471

>  <Synonyms> (495)
Flaxedil

>  <Target> (495)
AChR

>  <Form> (495)
tri-quaternary-N iodide salt

>  <URL> (495)
http://www.selleckchem.com/products/Gallamine-triethiodide(Flaxedil).html

>  <CAS Number> (495)
65-29-2

$$$$
Hexestrol.cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   11.8781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6289    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2124    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  8  3  1  1  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (496)
825

>  <Formula> (496)
C18H22O2

>  <MolWeight> (496)
270.36608

>  <Item Name> (496)
Hexestrol (Bibenzyl)

>  <Catalog Number> (496)
S2473

>  <Synonyms> (496)
Bibenzyl, Cycloestrol, Dihydro-stilbestro, Dihydrostilbestrol, Estra-Plex 

>  <Target> (496)
Estrogen/progestogen Receptor

>  <Form> (496)
Free Base

>  <URL> (496)
http://www.selleckchem.com/products/Hexestrol(Bibenzyl).html

>  <CAS Number> (496)
84-16-2

$$$$
Imatinib.cdx
csChFnd80/07171813022D

 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
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    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (497)
826

>  <Formula> (497)
C29H31N7O

>  <MolWeight> (497)
493.60274

>  <Item Name> (497)
Imatinib (STI571) 

>  <Catalog Number> (497)
S2475 

>  <Synonyms> (497)
STI571, Glivec

>  <Form> (497)
Free Base

>  <URL> (497)
http://www.selleckchem.com/products/Imatinib(STI571).html

>  <CAS Number> (497)
152459-95-5

$$$$
Lincomycin  HCl.cdx
csChFnd80/07171813022D

 29 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.8417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    3.4417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.4417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.8417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    6.9417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    7.6417    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    6.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1203    9.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571   10.2078    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3571   11.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   11.1291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9509   12.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646   11.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6521   11.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7441    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7118    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  6  0  0  0
  7 11  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 12  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  1  0  0  0
  3 24  1  6  0  0  0
  4 25  1  6  0  0  0
 25 26  1  0  0  0  0
  8 27  1  1  0  0  0
  6 28  1  6  0  0  0
M  END
>  <Mol_ID> (498)
827

>  <Formula> (498)
C18H35ClN2O6S

>  <MolWeight> (498)
442.9983

>  <Item Name> (498)
Lincomycin hydrochloride (Lincocin)

>  <Catalog Number> (498)
S2479

>  <Synonyms> (498)
Lincocin

>  <Target> (498)
Antifection

>  <Form> (498)
Hydrochloride

>  <URL> (498)
http://www.selleckchem.com/products/Lincomycin-hydrochloride(Lincocin).html

>  <CAS Number> (498)
859-18-7

$$$$
Loperamide HCl.cdx
csChFnd80/07171813022D

 35 37  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8850    5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2675    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2775    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9252    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5629    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5528    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2373    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2273    6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8649    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5126    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5227    7.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555    0.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 24 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 24  1  0  0  0  0
M  END
>  <Mol_ID> (499)
828

>  <Formula> (499)
C29H34Cl2N2O2

>  <MolWeight> (499)
513.49846

>  <Item Name> (499)
Loperamide hydrochloride

>  <Catalog Number> (499)
S2480

>  <Synonyms> (499)
N/A

>  <Target> (499)
Opioid Receptor

>  <Form> (499)
Hydrochloride

>  <URL> (499)
http://www.selleckchem.com/products/Loperamide-hydrochloride.html

>  <CAS Number> (499)
34552-83-5

$$$$
Manidipine.cdx
csChFnd80/07171813022D

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.6289    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6289    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    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
    2.4207    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5324   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200   13.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075   11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  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
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 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
 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
 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 27  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 34 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 34  1  0  0  0  0
 35 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 35  1  0  0  0  0
M  END
>  <Mol_ID> (500)
829

>  <Formula> (500)
C35H38N4O6

>  <MolWeight> (500)
610.69942

>  <Item Name> (500)
Manidipine (Manyper)

>  <Catalog Number> (500)
S2481

>  <Synonyms> (500)
Artedil, Iperten 

>  <Target> (500)
Calcium Channel

>  <Form> (500)
Free Base

>  <URL> (500)
http://www.selleckchem.com/products/Manidipine(Manyper).html

>  <CAS Number> (500)
89226-50-6

$$$$
PCI-32765.cdx
csChFnd80/07171813022D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.1247    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> (501)
833

>  <Formula> (501)
C25H24N6O2

>  <MolWeight> (501)
440.49706

>  <Item Name> (501)
PCI-32765 (Ibrutinib)

>  <Catalog Number> (501)
S2680

>  <Synonyms> (501)
N/A

>  <Target> (501)
Src

>  <Form> (501)
Free Base

>  <URL> (501)
http://www.selleckchem.com/products/pci-32765.html

>  <CAS Number> (501)
936563-96-1

$$$$
Manidipine HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (502)
839

>  <Formula> (502)
C35H40Cl2N4O6

>  <MolWeight> (502)
683.6213

>  <Item Name> (502)
Manidipine dihydrochloride (CV-4093)

>  <Catalog Number> (502)
S2482

>  <Synonyms> (502)
N/A

>  <Target> (502)
Calcium Channel

>  <Form> (502)
Dihydrochloride

>  <URL> (502)
http://www.selleckchem.com/products/Manidipine-dihydrochloride(CV-4093).html

>  <CAS Number> (502)
89226-75-5

$$$$
Milrinone.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (503)
840

>  <Formula> (503)
C12H9N3O

>  <MolWeight> (503)
211.21936

>  <Item Name> (503)
Milrinone (Primacor)

>  <Catalog Number> (503)
S2484

>  <Synonyms> (503)
Primacor

>  <Target> (503)
ATPase

>  <Form> (503)
Free Base

>  <URL> (503)
http://www.selleckchem.com/products/Milrinone(Primacor).html

>  <CAS Number> (503)
78415-72-2

$$$$

csChFnd80/07171813022D

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M  END
>  <Mol_ID> (504)
841

>  <Formula> (504)
C22H30Cl2N4O6

>  <MolWeight> (504)
517.4028

>  <Item Name> (504)
Mitoxantrone 2HCl

>  <Catalog Number> (504)
S2485

>  <Synonyms> (504)
NSC-301739

>  <Target> (504)
Topoisomerase

>  <Form> (504)
Dihydrochloride

>  <URL> (504)
http://www.selleckchem.com/products/Mitoxantrone.html

>  <CAS Number> (504)
70476-82-3

$$$$
Moroxydine HCl.cdx
csChFnd80/07171813022D

 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> (505)
842

>  <Formula> (505)
C6H14ClN5O

>  <MolWeight> (505)
207.66126

>  <Item Name> (505)
Moroxydine HCl

>  <Catalog Number> (505)
S2486

>  <Synonyms> (505)
N/A

>  <Target> (505)
Antifection

>  <Form> (505)
Hydrochloride

>  <URL> (505)
http://www.selleckchem.com/products/Moroxydine-hydrochloride.html

>  <CAS Number> (505)
3160-91-6

$$$$
Mycophenolic acid.cdx
csChFnd80/07171813022D

 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> (506)
843

>  <Formula> (506)
C17H20O6

>  <MolWeight> (506)
320.3371

>  <Item Name> (506)
Mycophenolic acid

>  <Catalog Number> (506)
S2487

>  <Synonyms> (506)
Mycophenolate, RS-61443

>  <Target> (506)
Dehydrogenase

>  <Form> (506)
Free Base

>  <URL> (506)
http://www.selleckchem.com/products/Mycophenolic-acid(Mycophenolate).html

>  <CAS Number> (506)
24280-93-1

$$$$
nateglinide.cdx
csChFnd80/07171813022D

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.8909    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6784    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6784    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  1  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
>  <Mol_ID> (507)
844

>  <Formula> (507)
C19H27NO3

>  <MolWeight> (507)
317.42258

>  <Item Name> (507)
Nateglinide (Starlix)

>  <Catalog Number> (507)
S2489

>  <Synonyms> (507)
Starlix

>  <Target> (507)
Potassium Channel

>  <Form> (507)
Free Base

>  <URL> (507)
http://www.selleckchem.com/products/Nateglinide(Starlix).html

>  <CAS Number> (507)
105816-04-4

$$$$
Itraconazole.cdx
csChFnd80/07171813022D

 49 55  0  0  0  0  0  0  0  0999 V2000
   13.1467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1467    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8467    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6516    2.9075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0419    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9419    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    1.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2370    2.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1370    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6321    2.9075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    1.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    2.2075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.7865    3.6075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.4550    4.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0239    0.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9152    1.3875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.1897    1.9550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3184    1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9540    4.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5589    4.1158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7360    5.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    4.8158    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4045    3.4158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    2.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0421    6.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    4.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    5.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476    3.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    3.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.1146    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3676    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0287    7.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4114    6.9356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0470    8.1830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571    9.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8096    8.5373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
  8 30  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
 33 36  1  1  0  0  0
 33 37  1  6  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 42 43  1  0  0  0  0
 40 44  1  0  0  0  0
 36 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 45  1  0  0  0  0
M  END
>  <Mol_ID> (508)
845

>  <Formula> (508)
C35H38Cl2N8O4

>  <MolWeight> (508)
705.63342

>  <Item Name> (508)
Itraconazole (Sporanox)

>  <Catalog Number> (508)
S2476

>  <Synonyms> (508)
Sporanox

>  <Target> (508)
P450 (e.g. CYP17)

>  <Form> (508)
Free Base

>  <URL> (508)
http://www.selleckchem.com/products/Itraconazole(Sporanox).html

>  <CAS Number> (508)
84625-61-6

$$$$
Neostigmine bromide.cdx
csChFnd80/07171813022D

 17 16  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429    0.6951    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  2  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (509)
846

>  <Formula> (509)
C12H19BrN2O2

>  <MolWeight> (509)
303.19546

>  <Item Name> (509)
Neostigmine bromide (Prostigmin)

>  <Catalog Number> (509)
S2490

>  <Synonyms> (509)
Prostigmin, Vagostigmin

>  <Target> (509)
AChR

>  <Form> (509)
Bromide

>  <URL> (509)
http://www.selleckchem.com/products/Neostigmine-bromide(Prostigmin).html

>  <CAS Number> (509)
114-80-7

$$$$
Nitrendipine.cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3879    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6827    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 14 20  1  0  0  0  0
 11 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
>  <Mol_ID> (510)
847

>  <Formula> (510)
C18H20N2O6

>  <MolWeight> (510)
360.3612

>  <Item Name> (510)
Nitrendipine

>  <Catalog Number> (510)
S2491

>  <Synonyms> (510)
N/A

>  <Target> (510)
Calcium Channel

>  <Form> (510)
Free Base

>  <URL> (510)
http://www.selleckchem.com/products/Nitrendipine.html

>  <CAS Number> (510)
39562-70-4

$$$$
Novobiocin sodium.cdx
csChFnd80/07171813022D

 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> (511)
848

>  <Formula> (511)
C31H35N2NaO11

>  <MolWeight> (511)
634.60617

>  <Item Name> (511)
Novobiocin sodium (Albamycin)

>  <Catalog Number> (511)
S2492

>  <Synonyms> (511)
Albamycin, Cathomycin

>  <Target> (511)
Topoisomerase

>  <Form> (511)
Sodium Salt

>  <URL> (511)
www.selleckchem.com/products/Novobiocin-sodium(Albamycin).html

>  <CAS Number> (511)
1476-53-5

$$$$
Olanzapine.cdx
csChFnd80/07171813022D

 22 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001    0.2342    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.4544    1.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042    2.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8146    0.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423    4.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6384    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2458    6.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4572    7.1914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    7.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4536    5.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
 13 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (512)
849

>  <Formula> (512)
C17H20N4S

>  <MolWeight> (512)
312.4325

>  <Item Name> (512)
Olanzapine (Zyprexa)

>  <Catalog Number> (512)
S2493

>  <Synonyms> (512)
Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera 

>  <Target> (512)
5-HT Receptor, Dopamine Receptor

>  <Form> (512)
Free Base

>  <URL> (512)
http://www.selleckchem.com/products/Olanzapine(Zyprexa).html

>  <CAS Number> (512)
132539-06-1

$$$$
Olopatadine HCl.cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    8.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    8.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    7.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    5.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    5.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    7.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    7.9704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1452    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5616    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    4.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9183    5.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9410    4.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    6.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7551    0.3500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  1  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  8  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  4  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (513)
850

>  <Formula> (513)
C21H24ClNO3

>  <MolWeight> (513)
373.87316

>  <Item Name> (513)
Olopatadine hydrochloride (Opatanol)

>  <Catalog Number> (513)
S2494

>  <Synonyms> (513)
Opatanol, Pataday, Patanase, Allelock 

>  <Target> (513)
Histamine Receptor

>  <Form> (513)
Hydrochloride

>  <URL> (513)
http://www.selleckchem.com/products/Olopatadine-hydrochloride(Opatanol).html

>  <CAS Number> (513)
140462-76-6

$$$$
Ozagrel.cdx
csChFnd80/07171813022D

 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
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 16 17  2  0  0  0  0
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M  END
>  <Mol_ID> (514)
852

>  <Formula> (514)
C13H12N2O2

>  <MolWeight> (514)
228.24658

>  <Item Name> (514)
Ozagrel

>  <Catalog Number> (514)
S2496

>  <Synonyms> (514)
OKY 046 

>  <Target> (514)
Factor Xa

>  <Form> (514)
Free Base

>  <URL> (514)
http://www.selleckchem.com/products/Ozagrel.html

>  <CAS Number> (514)
82571-53-7

$$$$
Pancuronium bromide.cdx
csChFnd80/07171813022D

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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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 44 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
>  <Mol_ID> (515)
853

>  <Formula> (515)
C35H60Br2N2O4

>  <MolWeight> (515)
732.6699

>  <Item Name> (515)
Pancuronium dibromide

>  <Catalog Number> (515)
S2497

>  <Synonyms> (515)
N/A

>  <Target> (515)
AChR

>  <Form> (515)
di-quaternary-N bromide salt

>  <URL> (515)
http://www.selleckchem.com/products/Pancuronium-bromide(Pavulon).html

>  <CAS Number> (515)
15500-66-0

$$$$
GSK2126458.cdx
csChFnd80/07171813022D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (516)
854

>  <Formula> (516)
C25H17F2N5O3S

>  <MolWeight> (516)
505.4959864

>  <Item Name> (516)
Omipalisib (GSK2126458, GSK458)

>  <Catalog Number> (516)
S2658

>  <Synonyms> (516)
N/A 

>  <Target> (516)
PI3K, mTOR

>  <Form> (516)
Free Base

>  <URL> (516)
http://www.selleckchem.com/products/gsk2126458.html

>  <CAS Number> (516)
1086062-66-9 

$$$$
Quinine hydrochloride dihydrate.cdx
csChFnd80/07171813022D

 29 29  0  0  0  0  0  0  0  0999 V2000
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 10  4  1  0  0  0  0
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M  END
>  <Mol_ID> (517)
855

>  <Formula> (517)
C20H29ClN2O4

>  <MolWeight> (517)
396.90826

>  <Item Name> (517)
Quinine hydrochloride dihydrate

>  <Catalog Number> (517)
S2502

>  <Synonyms> (517)
N/A

>  <Target> (517)
Potassium Channel

>  <Form> (517)
Hydrochloride dihydrate

>  <URL> (517)
http://www.selleckchem.com/products/Quinine-hydrochloride-dihydrate.html

>  <CAS Number> (517)
6119-47-7 

$$$$
Racecadotril.cdx
csChFnd80/07171813022D

 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
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    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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> (518)
856

>  <Formula> (518)
C21H23NO4S

>  <MolWeight> (518)
385.47662

>  <Item Name> (518)
Racecadotril (Acetorphan)

>  <Catalog Number> (518)
S2503

>  <Synonyms> (518)
Acetorphan

>  <Target> (518)
Opioid Receptor

>  <Form> (518)
Free Base

>  <URL> (518)
http://www.selleckchem.com/products/Racecadotril(Acetorphan).html

>  <CAS Number> (518)
81110-73-8

$$$$
Ribavirin.cdx
csChFnd80/07171813022D

 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
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    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> (519)
857

>  <Formula> (519)
C8H12N4O5

>  <MolWeight> (519)
244.20468

>  <Item Name> (519)
Ribavirin (Copegus)

>  <Catalog Number> (519)
S2504

>  <Synonyms> (519)
Rebetol, Ribasphere, Vilona, Virazole 

>  <Target> (519)
Antifection

>  <Form> (519)
Free Base

>  <URL> (519)
http://www.selleckchem.com/products/Ribavirin(Copegus).html

>  <CAS Number> (519)
36791-04-5

$$$$
Rosiglitazone maleate.cdx
csChFnd80/07171813022D

 33 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.6933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    8.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    8.0933    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4537    6.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8231    6.4099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3999    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1999    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4999    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0999    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0048    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5951    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 26 32  1  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (520)
858

>  <Formula> (520)
C22H23N3O7S

>  <MolWeight> (520)
473.49892

>  <Item Name> (520)
Rosiglitazone maleate

>  <Catalog Number> (520)
S2505

>  <Synonyms> (520)
N/A

>  <Target> (520)
PPAR

>  <Form> (520)
Maleate

>  <URL> (520)
http://www.selleckchem.com/products/Rosiglitazone-maleate.html

>  <CAS Number> (520)
155141-29-0

$$$$
Salbutamol sulfate.cdx
csChFnd80/07171813022D

 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
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    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> (521)
859

>  <Formula> (521)
C13H23NO7S

>  <MolWeight> (521)
337.38922

>  <Item Name> (521)
Salbutamol sulfate (Albuterol)

>  <Catalog Number> (521)
S2507

>  <Synonyms> (521)
Albuterol, Ventolin, Aerolin, Ventorlin, Asthalin, Asthavent

>  <Target> (521)
Adrenergic Receptor

>  <Form> (521)
Sulfate

>  <URL> (521)
http://www.selleckchem.com/products/Salbutamol-sulfate(Albuterol).html

>  <CAS Number> (521)
51022-70-9

$$$$
Scopolamine hydrobromide.cdx
csChFnd80/07171813022D

 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
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  2  3  1  0  0  0  0
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  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
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 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> (522)
860

>  <Formula> (522)
C17H22BrNO4

>  <MolWeight> (522)
384.26488

>  <Item Name> (522)
Scopolamine hydrobromide

>  <Catalog Number> (522)
S2508

>  <Synonyms> (522)
N/A

>  <Target> (522)
AChR

>  <Form> (522)
Hydrobromide

>  <URL> (522)
http://www.selleckchem.com/products/Scopolamine-hydrobromide.html

>  <CAS Number> (522)
114-49-8

$$$$
Sotalol HCl.cdx
csChFnd80/07171813022D

 19 18  0  0  0  0  0  0  0  0999 V2000
    5.5878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    2.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    3.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    5.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7878    3.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    2.7834    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1878    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2754    2.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    3.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.9958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4951    2.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    2.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    5.2041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7185    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (523)
861

>  <Formula> (523)
C12H21ClN2O3S

>  <MolWeight> (523)
308.82474

>  <Item Name> (523)
Sotalol HCl

>  <Catalog Number> (523)
S2509

>  <Synonyms> (523)
Sotalex

>  <Target> (523)
Adrenergic Receptor

>  <Form> (523)
Hydrochloride

>  <URL> (523)
http://www.selleckchem.com/products/Sotalol-hydrochloride(Betapace).html

>  <CAS Number> (523)
959-24-0

$$$$
Spectinomycin  HCl.cdx
csChFnd80/07171813022D

 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> (524)
862

>  <Formula> (524)
C14H26Cl2N2O7

>  <MolWeight> (524)
405.27144

>  <Item Name> (524)
Spectinomycin 2HCl

>  <Catalog Number> (524)
S2510

>  <Synonyms> (524)
Actinospectacin

>  <Target> (524)
Antifection

>  <Form> (524)
dihydrochloride

>  <URL> (524)
www.selleckchem.com/products/Spectinomycin--hydrochloride.html

>  <CAS Number> (524)
21736-83-4

$$$$
Sulfadoxine.cdx
csChFnd80/07171813022D

 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> (525)
863

>  <Formula> (525)
C12H14N4O4S

>  <MolWeight> (525)
310.32896

>  <Item Name> (525)
Sulfadoxine (Sulphadoxine)

>  <Catalog Number> (525)
S2511

>  <Synonyms> (525)
Sulphadoxine

>  <Target> (525)
Antifection

>  <Form> (525)
Free Base

>  <URL> (525)
http://www.selleckchem.com/products/Sulfadoxine(Sulphadoxine).html

>  <CAS Number> (525)
2447-57-6

$$$$
Terbinafine hydrochloride.cdx
csChFnd80/07171813022D

 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> (526)
864

>  <Formula> (526)
C21H26ClN

>  <MolWeight> (526)
327.89084

>  <Item Name> (526)
Terbinafine hydrochloride (Lamisil)

>  <Catalog Number> (526)
S2557

>  <Synonyms> (526)
Zabel

>  <Target> (526)
Antifection

>  <Form> (526)
Hydrochloride

>  <URL> (526)
www.selleckchem.com/products/Terbinafine-hydrochloride(Zabel).html

>  <CAS Number> (526)
78628-80-5

$$$$
Vardenafil hydrochloride trihydrate.cdx
csChFnd80/07171813022D

 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
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   15.7553    5.5368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  3  4  1  0  0  0  0
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 10 11  2  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  2  0  0  0  0
  9 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 25 27  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  2  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (527)
865

>  <Formula> (527)
C23H39ClN6O7S

>  <MolWeight> (527)
579.10976

>  <Item Name> (527)
Vardenafil Hydrochloride Trihydrate (Vivanza

>  <Catalog Number> (527)
S2515

>  <Synonyms> (527)
Levitra 

>  <Target> (527)
PDE

>  <Form> (527)
Hydrochloride trihydrate

>  <URL> (527)
http://www.selleckchem.com/products/Vardenafil(Vivanza).html

>  <CAS Number> (527)
224785-90-4

$$$$
Maprotiline hydrochloride.cdx
csChFnd80/07171813022D

 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> (528)
866

>  <Formula> (528)
C20H24ClN

>  <MolWeight> (528)
313.86426

>  <Item Name> (528)
Maprotiline hydrochloride

>  <Catalog Number> (528)
S2517

>  <Synonyms> (528)
Deprilept, Ludiomil, Psymion

>  <Target> (528)
Reuptake inhibitor

>  <Form> (528)
Hydrochloride

>  <URL> (528)
http://www.selleckchem.com/products/Maprotiline-hydrochloride.html

>  <CAS Number> (528)
10347-81-6

$$$$
Naphazoline hydrochloride.cdx
csChFnd80/07171813022D

 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> (529)
867

>  <Formula> (529)
C14H15ClN2

>  <MolWeight> (529)
246.7353

>  <Item Name> (529)
Naphazoline hydrochloride (Naphcon)

>  <Catalog Number> (529)
S2519

>  <Synonyms> (529)
Naphcon, Albalon

>  <Target> (529)
Adrenergic Receptor

>  <Form> (529)
Hydrochloride

>  <URL> (529)
http://www.selleckchem.com/products/Naphazoline-hydrochloride-Naphcon.html

>  <CAS Number> (529)
550-99-2

$$$$
Epinephrine bitartrate.cdx
csChFnd80/07171813022D

 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> (530)
868

>  <Formula> (530)
C13H19NO9

>  <MolWeight> (530)
333.29126

>  <Item Name> (530)
Epinephrine bitartrate (Adrenalinium)

>  <Catalog Number> (530)
S2521

>  <Synonyms> (530)
D02149, Adrenalinetartrate, Adrenaline tatrate, Epinephrine Acid Tartrate 

>  <Target> (530)
Adrenergic Receptor

>  <Form> (530)
tartrate

>  <URL> (530)
http://www.selleckchem.com/products/Epinephrine-bitartrate-Adrenalinium.html

>  <CAS Number> (530)
51-42-3

$$$$
L-Adrenaline.cdx
csChFnd80/07171813022D

 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> (531)
869

>  <Formula> (531)
C9H13NO3

>  <MolWeight> (531)
183.20442

>  <Item Name> (531)
L-Adrenaline (Epinephrine)

>  <Catalog Number> (531)
S2522

>  <Synonyms> (531)
Adrenaline, d-Adrenaline, Adnephrine, Adrenalin, Chelafrin, Epinefrina, Epinephran, Epirenan, Exadri 

>  <Target> (531)
Adrenergic Receptor

>  <Form> (531)
Free Base

>  <URL> (531)
http://www.selleckchem.com/products/L-Adrenaline-Epinephrine.html

>  <CAS Number> (531)
51-43-4

$$$$
Phenytoin sodium.cdx
csChFnd80/07171813022D

 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> (532)
870

>  <Formula> (532)
C15H11N2NaO2

>  <MolWeight> (532)
274.24981

>  <Item Name> (532)
Phenytoin sodium (Dilantin)

>  <Catalog Number> (532)
S2524

>  <Synonyms> (532)
Aleviatin, Diphenylhydantoin sodium, Eptoin, Phenytoin soluble, Prompt; Phenytek 

>  <Target> (532)
Sodium Channel

>  <Form> (532)
Sodium Salt

>  <URL> (532)
http://www.selleckchem.com/products/Phenytoin-sodium-Dilantin.html

>  <CAS Number> (532)
630-93-3

$$$$
Phenytoin.cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.1249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    4.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.4668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9922    4.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6449    6.5955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6654    3.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
M  END
>  <Mol_ID> (533)
871

>  <Formula> (533)
C15H12N2O2

>  <MolWeight> (533)
252.26798

>  <Item Name> (533)
Phenytoin (Lepitoin)

>  <Catalog Number> (533)
S2525

>  <Synonyms> (533)
Di-Hydan, Dihycon, Dilabid, Diphedan, Diphenat, Diphenylan, Diphenylhydantoin, Hydantol, Lehydan, NS

>  <Target> (533)
Sodium Channel

>  <Form> (533)
Free Base

>  <URL> (533)
http://www.selleckchem.com/products/Phenytoin-Lepitoin.html

>  <CAS Number> (533)
57-41-0

$$$$
Methacycline hydrochloride.cdx
csChFnd80/07171813022D

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    5.8771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.5771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    3.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.4771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.5771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.3819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.9722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.2722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4971    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4770    8.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 10 23  2  0  0  0  0
  7 24  2  0  0  0  0
 15 25  2  0  0  0  0
 19 26  2  0  0  0  0
  9 27  1  6  0  0  0
 14 28  1  6  0  0  0
 13 29  1  6  0  0  0
 18 30  1  6  0  0  0
 12 31  1  6  0  0  0
 11 32  1  0  0  0  0
  7  8  1  0  0  0  0
 30 33  1  0  0  0  0
 30 34  1  0  0  0  0
M  END
>  <Mol_ID> (534)
872

>  <Formula> (534)
C22H23ClN2O8

>  <MolWeight> (534)
478.87962

>  <Item Name> (534)
Methacycline hydrochloride (Physiomycine)

>  <Catalog Number> (534)
S2527

>  <Synonyms> (534)
Adriamicina, Ciclobiotic, Germiciclin, Londomycin, Metacyclin hydrochloride, Metadomus, Methacycline 

>  <Target> (534)
Antifection

>  <Form> (534)
Hydrochloride 

>  <URL> (534)
http://www.selleckchem.com/products/Methacycline-hydrochloride-Physiomycine.html

>  <CAS Number> (534)
3963-95-9

$$$$
Ciclopirox.cdx
csChFnd80/07171813022D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
 11 13  1  0  0  0  0
  9 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
>  <Mol_ID> (535)
873

>  <Formula> (535)
C12H17NO2

>  <MolWeight> (535)
207.26888

>  <Item Name> (535)
Ciclopirox (Penlac)

>  <Catalog Number> (535)
S2528

>  <Synonyms> (535)
Batrafen, Loprox, Mycoster, Stieprox, HOE 296b 

>  <Target> (535)
ATPase

>  <Form> (535)
Free Base

>  <URL> (535)
http://www.selleckchem.com/products/Ciclopirox-Penlac.html

>  <CAS Number> (535)
29342-05-0

$$$$
Dopamine hydrochloride.cdx
csChFnd80/07171813022D

 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> (536)
874

>  <Formula> (536)
C8H12ClNO2

>  <MolWeight> (536)
189.63938

>  <Item Name> (536)
Dopamine hydrochloride (Inotropin)

>  <Catalog Number> (536)
S2529

>  <Synonyms> (536)
ASL 279, Cardiosteril, Dopamine Fresenius, Dopastat, Intropin, Rascordin, Revivan, Tensamin 

>  <Target> (536)
Dopamine Receptor

>  <Form> (536)
Hydrochloride 

>  <URL> (536)
http://www.selleckchem.com/products/Dopamine-hydrochloride-Inotropin.html

>  <CAS Number> (536)
62-31-7

$$$$
Ritodrine hydrochloride.cdx
csChFnd80/07171813022D

 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> (537)
878

>  <Formula> (537)
C17H22ClNO3

>  <MolWeight> (537)
323.81448

>  <Item Name> (537)
Ritodrine hydrochloride (Yutopar)

>  <Catalog Number> (537)
S2533

>  <Synonyms> (537)
DU 21220; Miolene; NSC 291565

>  <Target> (537)
Adrenergic Receptor

>  <Form> (537)
Hydrochloride

>  <URL> (537)
www.selleckchem.com/products/Ritodrine-hydrochloride-Yutopar.html

>  <CAS Number> (537)
23239-51-2

$$$$
Isoconazole nitrate.cdx
csChFnd80/07171813022D

 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
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  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
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 20 21  2  0  0  0  0
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 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> (538)
879

>  <Formula> (538)
C18H15Cl4N3O4

>  <MolWeight> (538)
479.1414

>  <Item Name> (538)
Isoconazole nitrate (Travogen)

>  <Catalog Number> (538)
S2534

>  <Synonyms> (538)
Adestan G 100, Fazol, Gyno-Travogen, R 15454, Travogyn 

>  <Target> (538)
Antifection

>  <Form> (538)
Nitrate 

>  <URL> (538)
http://www.selleckchem.com/products/Isoconazole-nitrate-Travogen.html

>  <CAS Number> (538)
24168-96-5

$$$$
Econazole nitrate.cdx
csChFnd80/07171813022D

 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
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 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> (539)
880

>  <Formula> (539)
C18H16Cl3N3O4

>  <MolWeight> (539)
444.69634

>  <Item Name> (539)
Econazole nitrate (Spectazole)

>  <Catalog Number> (539)
S2535

>  <Synonyms> (539)
Ecostatin, Epi-Pevaryl, Gyno-Pevaryl, Gynoryl, Ifenec, Micogin, NSC 243115, Palavale, Pevaryl 

>  <Target> (539)
Calcium Channel

>  <Form> (539)
Nitrate

>  <URL> (539)
http://www.selleckchem.com/products/Econazole-nitrate-Spectazole.html

>  <CAS Number> (539)
24169-02-6

$$$$
Miconazole.cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    1.2082    9.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6902    5.1169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    4.1927    0.0000 Cl  0  0  0  0  0  0  0  0  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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 13 14  1  0  0  0  0
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 15 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
>  <Mol_ID> (540)
881

>  <Formula> (540)
C18H14Cl4N2O

>  <MolWeight> (540)
416.12856

>  <Item Name> (540)
Miconazole (Monistat)

>  <Catalog Number> (540)
S2536

>  <Synonyms> (540)
Daktarin IV, MJR 1762, Monistat IV, NSC 170986, R 18134, Zimybase 

>  <Target> (540)
Others

>  <Form> (540)
Free Base

>  <URL> (540)
http://www.selleckchem.com/products/Miconazole-Monistat.html

>  <CAS Number> (540)
22916-47-8

$$$$
Secnidazole.cdx
csChFnd80/07171813022D

 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
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    5.9765    4.8348    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    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
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  8 10  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (541)
882

>  <Formula> (541)
C7H11N3O3

>  <MolWeight> (541)
185.18054

>  <Item Name> (541)
Secnidazole (Flagentyl)

>  <Catalog Number> (541)
S2537

>  <Synonyms> (541)
PM 185184, RP 14539, Sindose, Secnil

>  <Target> (541)
Antifection

>  <Form> (541)
Free Base

>  <URL> (541)
http://www.selleckchem.com/products/Secnidazole-Flagentyl.html

>  <CAS Number> (541)
3366-95-8

$$$$
untitled.cdx
csChFnd80/07171813022D

 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
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 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
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 28 23  2  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (542)
883

>  <Formula> (542)
C19H18ClN3O5S

>  <MolWeight> (542)
435.88132

>  <Item Name> (542)
Rivaroxaban (Xarelto)

>  <Catalog Number> (542)
S3002

>  <Synonyms> (542)
N/A 

>  <Target> (542)
Factor Xa

>  <Form> (542)
Free Base

>  <URL> (542)
http://www.selleckchem.com/products/Rivaroxaban.html

>  <CAS Number> (542)
366789-02-8

$$$$
fty720.cdx
csChFnd80/07171813022D

 23 22  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  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
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 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (543)
884

>  <Formula> (543)
C19H34ClNO2

>  <MolWeight> (543)
343.93176

>  <Item Name> (543)
Fingolimod (FTY720) HCl

>  <Catalog Number> (543)
S5002

>  <Synonyms> (543)
Gilenia 

>  <Target> (543)
S1P Receptor, Bcr-Abl, PKC

>  <Form> (543)
Hydrochloride

>  <URL> (543)
http://www.selleckchem.com/products/FTY720.html

$$$$
P.cdx
csChFnd80/07171813022D

 57 60  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (544)
885

>  <Formula> (544)
C43H68ClNO11

>  <MolWeight> (544)
810.45312

>  <Item Name> (544)
Pimecrolimus

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S5004

>  <Synonyms> (544)
Elidel, SDZ-ASM-981

>  <Target> (544)
Others

>  <Form> (544)
Free Base

>  <URL> (544)
http://www.selleckchem.com/products/Pimecrolimus.html

>  <CAS Number> (544)
137071-32-0

$$$$
untitled.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (545)
888

>  <Formula> (545)
C15H9FN2O3

>  <MolWeight> (545)
284.2419632

>  <Item Name> (545)
PTC124 (Ataluren)

>  <Catalog Number> (545)
S6003

>  <Synonyms> (545)
N/A 

>  <Target> (545)
CFTR

>  <Form> (545)
Free Base

>  <URL> (545)
http://www.selleckchem.com/products/PTC124.html

>  <CAS Number> (545)
775304-57-9

$$$$
NUTRESTORE (glutamine).cdx
csChFnd80/07171813022D

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890

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C5H10N2O3

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146.1445

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L-Glutamine

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S1749

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N/A

>  <Target> (546)
Others

>  <Form> (546)
Free Base

>  <URL> (546)
http://www.selleckchem.com/products/Glutamine.html

>  <CAS Number> (546)
56-85-9

$$$$
CP-690550 citrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (547)
891

>  <Formula> (547)
C22H28N6O8

>  <MolWeight> (547)
504.49312

>  <Item Name> (547)
Tofacitinib citrate (CP-690550 citrate)

>  <Catalog Number> (547)
S5001

>  <Synonyms> (547)
N/A 

>  <Target> (547)
JAK

>  <Form> (547)
Citrate

>  <URL> (547)
http://www.selleckchem.com/products/CP-690550.html

>  <CAS Number> (547)
540737-29-9

$$$$
Toremifene Citrate.cdx
csChFnd80/07171813022D

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Estrogen/progestogen Receptor

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Citrate 

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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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870281-82-6

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PLK 

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>  <URL> (550)
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755038-65-4

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   12.1117    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7448    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    2.0976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 22  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (551)
895

>  <Formula> (551)
C22H22FN3O3

>  <MolWeight> (551)
395.4267832

>  <Item Name> (551)
Ketanserin (Vulketan Gel)

>  <Catalog Number> (551)
S2232

>  <Synonyms> (551)
R 41468, Vulketan Gel

>  <Target> (551)
5-HT Receptor

>  <Form> (551)
Free Base

>  <URL> (551)
http://www.selleckchem.com/products/Ketanserin-Vulketan-Gel.html

>  <CAS Number> (551)
74050-98-9

$$$$
Lomefloxacin hydrochloride.cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1951    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
    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
    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  3  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
    0.0000    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3976    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    5.5903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4184    4.9097    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
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 11  1  0  0  0  0
 15 17  1  0  0  0  0
  2 18  1  0  0  0  0
  6 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 22  2  0  0  0  0
  8 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (552)
900

>  <Formula> (552)
C17H20ClF2N3O3

>  <MolWeight> (552)
387.8088064

>  <Item Name> (552)
Lomefloxacin hydrochloride (Maxaquin)

>  <Catalog Number> (552)
S2539

>  <Synonyms> (552)
Maxaquin, Okacyn, Uniquin

>  <Target> (552)
Antifection

>  <Form> (552)
Hydrochloride 

>  <URL> (552)
http://www.selleckchem.com/products/Lomefloxacin-hydrochloride-Maxaquin.html

>  <CAS Number> (552)
98079-52-8

$$$$
Clomipramine hydrochloride.cdx
csChFnd80/07171813022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.6481    4.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6481    3.0669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3868    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2210    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9095    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7112    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7375    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5588    0.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    1.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2736    2.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358    3.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9480    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    5.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8564    6.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    7.2572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0646    8.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2728    6.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8309    3.8982    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  2  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  4  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  8  1  0  0  0  0
 10 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (553)
901

>  <Formula> (553)
C19H24Cl2N2

>  <MolWeight> (553)
351.31326

>  <Item Name> (553)
Clomipramine hydrochloride (Anafranil)

>  <Catalog Number> (553)
S2541

>  <Synonyms> (553)
Anafranil

>  <Target> (553)
5-HT Receptor

>  <Form> (553)
Hydrochloride

>  <URL> (553)
http://www.selleckchem.com/products/Clomipramine-hydrochloride-Anafranil.html

>  <CAS Number> (553)
17321-77-6

$$$$
Ceftiofur hydrochloride.cdx
csChFnd80/07171813022D

 37 39  0  0  0  0  0  0  0  0999 V2000
    8.6011    4.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6011    3.5146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8136    2.8146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.0260    3.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0260    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8136    5.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    3.5146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8136    7.0097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2342    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6054    7.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0218    7.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4425    4.9146    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.6507    5.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8589    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6507    7.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0053    3.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3747    3.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0747    4.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1379    5.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2146    5.9011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6011    2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2011    2.1146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9887    2.8146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    2.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    1.0818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    4.5769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0075    1.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325    6.1324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5067    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  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
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  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
 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 15  2  0  0  0  0
  7 21  2  0  0  0  0
  2 22  1  1  0  0  0
  8 23  1  1  0  0  0
  8 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 29  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (554)
903

>  <Formula> (554)
C19H18ClN5O7S3

>  <MolWeight> (554)
560.02352

>  <Item Name> (554)
Ceftiofur hydrochloride 

>  <Catalog Number> (554)
S2543

>  <Synonyms> (554)
N/A

>  <Target> (554)
Antifection

>  <Form> (554)
Hydrochloride 

>  <URL> (554)
http://www.selleckchem.com/products/Ceftiofur-hydrochloride.html

>  <CAS Number> (554)
103980-44-5

$$$$
Acetanilide.cdx
csChFnd80/07171813022D

 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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
M  END
>  <Mol_ID> (555)
904

>  <Formula> (555)
C8H9NO

>  <MolWeight> (555)
135.16316

>  <Item Name> (555)
Acetanilide (Antifebrin)

>  <Catalog Number> (555)
S2538

>  <Synonyms> (555)
N-phenylacetamide, Acetanil, Acetamidobenzene, Acetylaniline, NSC 7636 

>  <Target> (555)
Others

>  <Form> (555)
Free Base

>  <URL> (555)
http://www.selleckchem.com/products/Acetanilide-Antifebrin.html

>  <CAS Number> (555)
103-84-4

$$$$
Phenformin hydrochloride.cdx
csChFnd80/07171813022D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.6458    0.0024    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
    6.0706    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6404    1.4195    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (556)
905

>  <Formula> (556)
C10H16ClN5

>  <MolWeight> (556)
241.72054

>  <Item Name> (556)
Phenformin hydrochloride 

>  <Catalog Number> (556)
S2542

>  <Synonyms> (556)
N/A

>  <Target> (556)
AMPK

>  <Form> (556)
Hydrochloride 

>  <URL> (556)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

>  <CAS Number> (556)
834-28-6

$$$$
erythromycin.cdx
csChFnd80/07171813022D

 52 54  0  0  0  0  0  0  0  0999 V2000
    6.2951    8.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0626    4.7734    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7627    5.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4165    5.6013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7788    6.9536    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9932    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6454    1.3598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3521    3.7835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4  7  1  1  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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 14 15  1  0  0  0  0
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 16 23  1  6  0  0  0
  2 24  1  6  0  0  0
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 12 26  1  1  0  0  0
 22 27  1  0  0  0  0
 16 28  1  0  0  0  0
 28  1  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 27  1  0  0  0  0
 34 35  1  0  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 23 35  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 37 43  1  1  0  0  0
 28 45  1  6  0  0  0
 28 46  1  1  0  0  0
 38 37  1  0  0  0  0
 36 37  1  0  0  0  0
 35 36  1  0  0  0  0
 27 29  1  1  0  0  0
 39 40  1  6  0  0  0
 34 47  1  6  0  0  0
 30 31  1  0  0  0  0
 29 30  1  0  0  0  0
 30 48  1  1  0  0  0
 32 44  1  0  0  0  0
 32 49  1  6  0  0  0
 31 50  1  1  0  0  0
 44 51  1  0  0  0  0
 35 52  1  1  0  0  0
M  END
>  <Mol_ID> (557)
906

>  <Formula> (557)
C37H67NO13

>  <MolWeight> (557)
733.92678

>  <Item Name> (557)
Erythromycin

>  <Catalog Number> (557)
s1635

>  <Synonyms> (557)
E-Mycin

>  <Target> (557)
Antifection

>  <Form> (557)
Free Base

>  <URL> (557)
http://www.selleckchem.com/products/Erythromycin(E-Mycin).ht

>  <CAS Number> (557)
114-07-8

$$$$
Trospium chloride.cdx
csChFnd80/07171813022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.7530   10.2591    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.3404    6.9562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    6.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0245    8.2170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5669    9.7107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2603    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6028    6.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8241    5.2165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2326    5.5652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1008    9.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0366    4.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    4.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1341    5.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5293    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8341    2.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2293    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6293    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3293    3.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6293    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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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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  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  1  1  0  0  0
  5 11  1  6  0  0  0
  9 12  1  6  0  0  0
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 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 28 16  1  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  6  1  0  0  0  0
M  END
>  <Mol_ID> (558)
913

>  <Formula> (558)
C25H30ClNO3

>  <MolWeight> (558)
427.9636

>  <Item Name> (558)
Trospium chloride (Sanctura)

>  <Catalog Number> (558)
S2549

>  <Synonyms> (558)
Sanctura

>  <Target> (558)
AChR

>  <Form> (558)
quaternary-N chloride salt

>  <URL> (558)
http://www.selleckchem.com/products/Trospium-chloride-Sanctura.html

>  <CAS Number> (558)
10405-02-4

$$$$
Tolterodine tartrate.cdx
csChFnd80/07171813022D

 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
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    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
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    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
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   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
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   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
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  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
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 13 15  1  0  0  0  0
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 15 17  1  0  0  0  0
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 14 19  1  0  0  0  0
 10 20  2  0  0  0  0
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 23 24  2  0  0  0  0
 24 10  1  0  0  0  0
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 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (559)
914

>  <Formula> (559)
C26H37NO7

>  <MolWeight> (559)
475.57448

>  <Item Name> (559)
Tolterodine tartrate (Detrol LA)

>  <Catalog Number> (559)
S2550

>  <Synonyms> (559)
Detrol LA, Kabi-2234, PNU-200583E 

>  <Target> (559)
AChR

>  <Form> (559)
Tartrate 

>  <URL> (559)
http://www.selleckchem.com/products/Tolterodine-tartrate-Detrol-LA.html

>  <CAS Number> (559)
124937-52-6

$$$$
Clomifene citrate.cdx
csChFnd80/07171813022D

 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
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   14.5240    8.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14  8  1  0  0  0  0
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 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> (560)
916

>  <Formula> (560)
C32H36ClNO8

>  <MolWeight> (560)
598.08314

>  <Item Name> (560)
Clomifene citrate (Serophene)

>  <Catalog Number> (560)
S2561

>  <Synonyms> (560)
Clomid, Serophene, Milophene

>  <Target> (560)
Estrogen/progestogen Receptor

>  <Form> (560)
Citrate

>  <URL> (560)
http://www.selleckchem.com/products/Clomifene-citrate-Serophene.html

>  <CAS Number> (560)
50-41-9

$$$$
Cloxacillin sodium.cdx
csChFnd80/07171813022D

 32 33  0  0  0  0  0  0  0  0999 V2000
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    3.5536    5.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0469   10.3832    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
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  1  8  1  1  0  0  0
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M  END
>  <Mol_ID> (561)
917

>  <Formula> (561)
C19H19ClN3NaO6S

>  <MolWeight> (561)
475.87843

>  <Item Name> (561)
Cloxacillin sodium

>  <Catalog Number> (561)
S2564

>  <Synonyms> (561)
Cloxapen, Cloxacap, Orbenin

>  <Target> (561)
Antifection

>  <Form> (561)
Sodium Salt & hydrate

>  <URL> (561)
http://www.selleckchem.com/products/Cloxacillin-sodium-Cloxacap.html

>  <CAS Number> (561)
7081-44-9

$$$$
Niacin(acid).cdx
csChFnd80/07171813022D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  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> (562)
918

>  <Formula> (562)
C6H5NO2

>  <MolWeight> (562)
123.1094

>  <Item Name> (562)
Niacin (Nicotinic acid)

>  <Catalog Number> (562)
S1744 

>  <Synonyms> (562)
Vitamin B3, Niacinamide, Nicotinic acid

>  <Target> (562)
Vitamin

>  <Form> (562)
Free Base

>  <URL> (562)
http://www.selleckchem.com/products/Niacin(Nicotinic-acid).html

>  <CAS Number> (562)
59-67-6

$$$$
Cortisone acetate.cdx
csChFnd80/07171813022D

 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
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   11.3312    5.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
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 17 20  1  1  0  0  0
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  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> (563)
919

>  <Formula> (563)
C23H30O6

>  <MolWeight> (563)
402.4807

>  <Item Name> (563)
Cortisone acetate (Cortone)

>  <Catalog Number> (563)
S2559

>  <Synonyms> (563)
Artriona, Biocort Acetate, Cortadren, Incortin, NSC 49420, Scheroson 

>  <Target> (563)
Glucocorticoid Receptor

>  <Form> (563)
Free Base

>  <URL> (563)
http://www.selleckchem.com/products/Cortisone-acetate-Cortone.html

>  <CAS Number> (563)
50-04-4

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/07171813022D

 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
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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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    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> (564)
920

>  <Formula> (564)
C8H9ClN4

>  <MolWeight> (564)
196.63686

>  <Item Name> (564)
Hydralazine hydrochloride

>  <Catalog Number> (564)
S2562

>  <Synonyms> (564)
Apresoline

>  <Target> (564)
Others

>  <Form> (564)
Hydrochloride

>  <URL> (564)
http://www.selleckchem.com/products/Hydralazine-hydrochloride.html

>  <CAS Number> (564)
304-20-1

$$$$
Isoprenaline hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (565)
921

>  <Formula> (565)
C11H18ClNO3

>  <MolWeight> (565)
247.71852

>  <Item Name> (565)
Isoprenaline hydrochloride

>  <Catalog Number> (565)
S2566

>  <Synonyms> (565)
Isuprel, Isadrine, Euspiran, Proternol, NSC 37745, NSC 89747 

>  <Target> (565)
Adrenergic Receptor

>  <Form> (565)
Hydrochloride

>  <URL> (565)
http://www.selleckchem.com/products/Isoprenaline-hydrochloride.html

>  <CAS Number> (565)
51-30-9

$$$$
Rosiglitazone.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (566)
922

>  <Formula> (566)
C18H19N3O3S

>  <MolWeight> (566)
357.42676

>  <Item Name> (566)
Rosiglitazone (Avandia)

>  <Catalog Number> (566)
S2556

>  <Synonyms> (566)
Avandia, BRL-49653

>  <Target> (566)
PPAR

>  <Form> (566)
Free Base

>  <URL> (566)
http://www.selleckchem.com/products/Rosiglitazone-Avandia.html

>  <CAS Number> (566)
122320-73-4

$$$$
CX-4945.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (567)
925

>  <Formula> (567)
C19H12ClN3O2

>  <MolWeight> (567)
349.77048

>  <Item Name> (567)
cx-4945 (Silmitasertib)

>  <Catalog Number> (567)
S2248

>  <Synonyms> (567)
N/A 

>  <Target> (567)
PKC

>  <Form> (567)
Free Base

>  <URL> (567)
http://www.selleckchem.com/products/cx-4945-silmitasertib.html

>  <CAS Number> (567)
1009820-21-6

$$$$
LY2157299.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (568)
929

>  <Formula> (568)
C22H19N5O

>  <MolWeight> (568)
369.41916

>  <Item Name> (568)
Galunisertib (LY2157299)

>  <Catalog Number> (568)
S2230

>  <Synonyms> (568)
N/A 

>  <Target> (568)
TGF-beta/Smad

>  <Form> (568)
Free Base

>  <URL> (568)
http://www.selleckchem.com/products/ly2157299.html

>  <CAS Number> (568)
700874-72-2

$$$$
R7935788.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (574)
966

>  <Formula> (574)
C25H27N5O4S

>  <MolWeight> (574)
493.57798

>  <Item Name> (574)
Apatinib mesylate

>  <Catalog Number> (574)
S2221

>  <Synonyms> (574)
YN968D1

>  <Target> (574)
VEGFR

>  <Form> (574)
mesylate

>  <URL> (574)
http://www.selleckchem.com/products/Apatinib-YN968D1.html

>  <CAS Number> (574)
811803-05-1

$$$$
LIDEX-E (fluocinonide).cdx
csChFnd80/07171813022D

 37 41  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (575)
969

>  <Formula> (575)
C26H32F2O7

>  <MolWeight> (575)
494.5248864

>  <Item Name> (575)
Fluocinonide (Vanos)

>  <Catalog Number> (575)
S2608

>  <Synonyms> (575)
Fluonex, Lidex, Lidex-E, Lonide, Lyderm 

>  <Target> (575)
Glucocorticoid Receptor

>  <Form> (575)
Free Base

>  <URL> (575)
http://www.selleckchem.com/products/Fluocinonide(Vanos).html

>  <CAS Number> (575)
356-12-7

$$$$
Curcumin.cdx
csChFnd80/07171813022D

 27 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (576)
971

>  <Formula> (576)
C21H20O6

>  <MolWeight> (576)
368.3799

>  <Item Name> (576)
Curcumin

>  <Catalog Number> (576)
S1848

>  <Synonyms> (576)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (576)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (576)
Free Base

>  <URL> (576)
http://www.selleckchem.com/products/Curcumin.html

>  <CAS Number> (576)
458-37-7

$$$$
Neomycin sulfate.cdx
csChFnd80/07171813022D

 47 49  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (577)
974

>  <Formula> (577)
C23H48N6O17S

>  <MolWeight> (577)
712.72222

>  <Item Name> (577)
Neomycin sulfate

>  <Catalog Number> (577)
S2568 

>  <Synonyms> (577)
N/A

>  <Target> (577)
Antifection

>  <Form> (577)
Sulfate

>  <URL> (577)
http://www.selleckchem.com/products/Neomycin-sulfate.html

>  <CAS Number> (577)
1405-10-3

$$$$
Prednisolone acetate.cdx
csChFnd80/07171813022D

 32 35  0  0  0  0  0  0  0  0999 V2000
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    9.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2395    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5737    6.6103    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
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (578)
975

>  <Formula> (578)
C23H30O6

>  <MolWeight> (578)
402.4807

>  <Item Name> (578)
Prednisolone acetate (Omnipred)

>  <Catalog Number> (578)
S2570

>  <Synonyms> (578)
Omnipred

>  <Target> (578)
Glucocorticoid Receptor

>  <Form> (578)
Free Base

>  <URL> (578)
http://www.selleckchem.com/products/Prednisolone-acetate-Omnipred.html

>  <CAS Number> (578)
52-21-1

$$$$
Dimethyl Fumarate.cdx
csChFnd80/07171813022D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    1.4000    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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  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
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  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (579)
976

>  <Formula> (579)
C6H8O4

>  <MolWeight> (579)
144.12532

>  <Item Name> (579)
Dimethyl Fumarate

>  <Catalog Number> (579)
S2586 

>  <Synonyms> (579)
N/A

>  <Target> (579)
Others

>  <Form> (579)
Free Base

>  <URL> (579)
http://www.selleckchem.com/products/dimethyl-Fumarate.html

>  <CAS Number> (579)
624-49-7

$$$$
Clinofbrate.cdx
csChFnd80/07171813022D

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.9425    6.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425    5.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1549    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1549    7.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7922    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5798    4.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.3038    1.2082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18  7  1  0  0  0  0
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 31 33  2  0  0  0  0
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M  END
>  <Mol_ID> (580)
977

>  <Formula> (580)
C28H36O6

>  <MolWeight> (580)
468.58184

>  <Item Name> (580)
Clinofibrate

>  <Catalog Number> (580)
S2664

>  <Synonyms> (580)
Lipoclin

>  <Target> (580)
RAAS

>  <Form> (580)
Free Base

>  <URL> (580)
http://www.selleckchem.com/products/clinofibrate.html

>  <CAS Number> (580)
30299-08-2

$$$$
GSK1120212.cdx
csChFnd80/07171813022D

 37 41  0  0  0  0  0  0  0  0999 V2000
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GSK212 

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MEK 

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Free Base

>  <URL> (581)
http://www.selleckchem.com/products/gsk1120212-(jtp-74057).html

>  <CAS Number> (581)
871700-17-3

$$$$
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csChFnd80/07171813022D

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Ciprofibrate

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N/A

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PPAR

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Free Base

>  <URL> (582)
http://www.selleckchem.com/products/ciprofibrate.html

>  <CAS Number> (582)
52214-84-3

$$$$
Amoxicillin sodium.cdx
csChFnd80/07171813022D

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986

>  <Formula> (583)
C16H18N3NaO5S

>  <MolWeight> (583)
387.38599

>  <Item Name> (583)
Amoxicillin sodium (Amox)

>  <Catalog Number> (583)
S2565

>  <Synonyms> (583)
Amoxycillin 

>  <Target> (583)
Antifection

>  <Form> (583)
Sodium Salt

>  <URL> (583)
http://www.selleckchem.com/products/amoxicillin-(amox).html

>  <CAS Number> (583)
34642-77-8

$$$$
TG101348.cdx
csChFnd80/07171813022D

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999

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Fedratinib (SAR302503, TG101348)

>  <Catalog Number> (584)
S2736

>  <Synonyms> (584)
N/A

>  <Target> (584)
JAK 

>  <Form> (584)
Free Base

>  <URL> (584)
http://www.selleckchem.com/products/tg-101348.html

>  <CAS Number> (584)
936091-26-8

$$$$
Brompheniramine maleate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (585)
1005

>  <Formula> (585)
C20H23BrN2O4

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>  <Item Name> (585)
Brompheniramine hydrogen maleate

>  <Catalog Number> (585)
S2585

>  <Synonyms> (585)
N/A

>  <Target> (585)
Histamine Receptor

>  <Form> (585)
Maleate

>  <URL> (585)
http://www.selleckchem.com/products/brompheniramine.html

>  <CAS Number> (585)
980-71-2

$$$$
CARVEDILOL (carvedilol).cdx
csChFnd80/07171813022D

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   10.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7642    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5518    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3393    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1311    4.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9229    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (586)
1006

>  <Formula> (586)
C24H26N2O4

>  <MolWeight> (586)
406.47424

>  <Item Name> (586)
Carvedilol

>  <Catalog Number> (586)
S1831

>  <Synonyms> (586)
Coreg, Dilatrend

>  <Target> (586)
Adrenergic Receptor

>  <Form> (586)
Free Base

>  <URL> (586)
http://www.selleckchem.com/products/carvedilol.html

>  <CAS Number> (586)
72956-09-3

$$$$
Amiloride hydrochloride dihydrate.cdx
csChFnd80/07171813022D

 18 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.5463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    3.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.3561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3537    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    5.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.6537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    6.7537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4047    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5478    3.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (587)
1007

>  <Formula> (587)
C6H13Cl2N7O3

>  <MolWeight> (587)
302.11852

>  <Item Name> (587)
Amiloride hydrochloride dihydrate

>  <Catalog Number> (587)
S2560 

>  <Synonyms> (587)
MK-870

>  <Target> (587)
Sodium Channel

>  <Form> (587)
hydrochloride & dihydrate

>  <URL> (587)
http://www.selleckchem.com/products/amilorida.html

>  <CAS Number> (587)
17440-83-4

$$$$
Phenylephrine hydrochloride.cdx
csChFnd80/07171813022D

 14 13  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1347    3.0188    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  1  0  0  0
  8 13  1  6  0  0  0
M  END
>  <Mol_ID> (588)
1008

>  <Formula> (588)
C9H14ClNO2

>  <MolWeight> (588)
203.66596

>  <Item Name> (588)
Phenylephrine hydrochloride

>  <Catalog Number> (588)
S2569

>  <Synonyms> (588)
N/A

>  <Target> (588)
Adrenergic Receptor

>  <Form> (588)
Hydrochloride

>  <URL> (588)
http://www.selleckchem.com/products/Phenylephrine-hydrochloride.html

>  <CAS Number> (588)
61-76-7

$$$$
Medroxyprogesterone acetate.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0330    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3977    7.6447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0995    8.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    2.8076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.0278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6995    4.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    3.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    4.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  2 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  1  0  0  0
  9 23  1  1  0  0  0
 12 24  1  1  0  0  0
 10 25  1  6  0  0  0
  7 26  1  6  0  0  0
 11 27  1  6  0  0  0
 17 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (589)
1009

>  <Formula> (589)
C24H34O4

>  <MolWeight> (589)
386.52436

>  <Item Name> (589)
Medroxyprogesterone acetate

>  <Catalog Number> (589)
S2567

>  <Synonyms> (589)
Medroxyprogesterone 17-acetate, MPA 

>  <Target> (589)
Estrogen/progestogen Receptor

>  <Form> (589)
Free Base

>  <URL> (589)
http://www.selleckchem.com/products/Medroxyprogesterone-acetate.html

>  <CAS Number> (589)
71-58-9

$$$$

csChFnd80/07171813022D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.1306    3.5252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    1.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0207    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    3.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    5.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    6.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4456    2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    3.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    4.6884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5703    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  1  9  1  0  0  0  0
  4  9  2  0  0  0  0
  2 10  2  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 14  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 17  1  0  0  0  0
 12 13  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
>  <Mol_ID> (590)
1012

>  <Formula> (590)
C16H25ClN2O

>  <MolWeight> (590)
296.8355

>  <Item Name> (590)
Ropinirole HCl

>  <Catalog Number> (590)
S3189

>  <Synonyms> (590)
N/A 

>  <Target> (590)
Dopamine Receptor

>  <Form> (590)
HCl

>  <URL> (590)
http://www.selleckchem.com/products/ropinirole-hydrochloride.html

>  <CAS Number> (590)
91374-20-8

$$$$
(+,-)-Octopamine hydrochloride.cdx
csChFnd80/07171813022D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.3703    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0496    3.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.3703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2017    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (591)
1013

>  <Formula> (591)
C8H12ClNO2

>  <MolWeight> (591)
189.63938

>  <Item Name> (591)
(+,-)-Octopamine HCl

>  <Catalog Number> (591)
S3188

>  <Synonyms> (591)
N/A 

>  <Target> (591)
Dopamine Receptor

>  <Form> (591)
HCl

>  <URL> (591)
http://www.selleckchem.com/products/octopamine-hcl.html

>  <CAS Number> (591)
770-05-8

$$$$
PF299804.cdx
csChFnd80/07171813022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.6381    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8556    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4304    3.4989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730    2.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2904    3.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5078    2.8003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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1018

>  <Formula> (592)
C24H25ClFN5O2

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>  <Item Name> (592)
Dacomitinib (PF299804, PF-00299804)

>  <Catalog Number> (592)
S2727

>  <Synonyms> (592)
N/A

>  <Target> (592)
EGFR

>  <Form> (592)
Free Base

>  <URL> (592)
http://www.selleckchem.com/products/pf299804.html

>  <CAS Number> (592)
1110813-31-4

$$$$
Linagliptin.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (593)
1021

>  <Formula> (593)
C25H28N8O2

>  <MolWeight> (593)
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>  <Item Name> (593)
Linagliptin (BI-1356)

>  <Catalog Number> (593)
S3031 

>  <Synonyms> (593)
N/A 

>  <Target> (593)
DPP-4

>  <Form> (593)
Free Base

>  <URL> (593)
http://www.selleckchem.com/products/linagliptin-bi-1356.html

>  <CAS Number> (593)
668270-12-0

$$$$
SCH727965.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (594)
1022

>  <Formula> (594)
C21H28N6O2

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>  <Item Name> (594)
Dinaciclib (SCH727965)

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S2768

>  <Synonyms> (594)
N/A 

>  <Target> (594)
CDK

>  <Form> (594)
Free Base

>  <URL> (594)
http://www.selleckchem.com/products/dinaciclib-sch727965.html

>  <CAS Number> (594)
779353-01-4

$$$$
CP868569.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (595)
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>  <Formula> (595)
C26H29N5O2

>  <MolWeight> (595)
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>  <Item Name> (595)
Crenolanib (CP-868596)

>  <Catalog Number> (595)
S2730 

>  <Synonyms> (595)
N/A 

>  <Target> (595)
PDGFR

>  <Form> (595)
Free Base

>  <URL> (595)
http://www.selleckchem.com/products/crenolanib-cp-868596.html

>  <CAS Number> (595)
670220-88-9

$$$$
Erdosteine.cdx
csChFnd80/07171813022D

 15 15  0  0  0  0  0  0  0  0999 V2000
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    2.2374    1.9879    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    0.6356    3.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (596)
1025

>  <Formula> (596)
C8H11NO4S2

>  <MolWeight> (596)
249.30724

>  <Item Name> (596)
Erdosteine

>  <Catalog Number> (596)
S1825

>  <Synonyms> (596)
N/A

>  <Target> (596)
Others

>  <Form> (596)
Free Base

>  <URL> (596)
http://www.selleckchem.com/products/erdosteine.html

>  <CAS Number> (596)
84611-23-4 

$$$$
Fenoprofen calcium.cdx
csChFnd80/07171813022D

 37 38  0  0  0  0  0  0  0  0999 V2000
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    4.2790    3.9211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6789    3.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789    2.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    3.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789    5.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    5.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790    6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790    7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790    7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4790    6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0790    6.3459    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6209    7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0790    3.9211    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0209    5.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790   -2.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790   -1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6789   -2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789   -3.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4789   -2.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3789   -1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4790    0.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0790    0.1860    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.6209    1.3984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0790   -2.2388    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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 14  3  1  0  0  0  0
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 27 22  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (597)
1026

>  <Formula> (597)
C30H26CaO6

>  <MolWeight> (597)
522.60184

>  <Item Name> (597)
Fenoprofen calcium

>  <Catalog Number> (597)
S1823 

>  <Synonyms> (597)
Nalfon

>  <Target> (597)
Immunology & Inflammation related

>  <Form> (597)
Calcium salt

>  <URL> (597)
http://www.selleckchem.com/products/fenoprofen-calcium.html

>  <CAS Number> (597)
34597-40-5 

$$$$
BENICAR (olmesartan medoxomil).cdx
csChFnd80/07171813022D

 41 45  0  0  0  0  0  0  0  0999 V2000
    8.1855    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3181    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4855    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7181    7.1180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4181    8.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8181    8.3305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6654    9.5782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2329   10.8527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2779    9.4324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9654   10.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6322    7.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    5.0229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    6.4180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    7.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    8.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    7.5866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1325   10.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3937    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3937    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6061    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8186    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8186    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6061    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0268    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0268    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2392    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4517    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4517    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2392    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2392    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3719    5.0180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9392    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1066    5.0180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 30 25  1  0  0  0  0
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M  END
>  <Mol_ID> (598)
1027

>  <Formula> (598)
C29H30N6O6

>  <MolWeight> (598)
558.5851

>  <Item Name> (598)
Olmesartan medoxomil (Benicar)

>  <Catalog Number> (598)
S1604

>  <Synonyms> (598)
Olmetec 

>  <Target> (598)
RAAS

>  <Form> (598)
Free Base

>  <URL> (598)
http://www.selleckchem.com/products/olmesartan-medoxomil-Benicar.html

>  <CAS Number> (598)
144689-63-4

$$$$
Pramipexole.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.8329    2.1000    0.0000 C   0  0  1  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
    3.6247    2.7976    0.0000 N   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
    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 S   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
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  8  9  1  0  0  0  0
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  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13  5  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (599)
1029

>  <Formula> (599)
C10H17N3S

>  <MolWeight> (599)
211.32708

>  <Item Name> (599)
Pramipexole (Mirapex)

>  <Catalog Number> (599)
S2460

>  <Synonyms> (599)
Mirapexin, Sifrol

>  <Target> (599)
Dopamine Receptor

>  <Form> (599)
Free Base

>  <URL> (599)
http://www.selleckchem.com/products/Pramipexole-Mirapex.html

>  <CAS Number> (599)
104632-26-0

$$$$
Adenine hydrochloride.cdx
csChFnd80/07171813022D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.1544    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.9278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9397    1.4097    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
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  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (600)
1034

>  <Formula> (600)
C5H6ClN5

>  <MolWeight> (600)
171.58764

>  <Item Name> (600)
Adenine hydrochloride

>  <Catalog Number> (600)
S1983

>  <Synonyms> (600)
N/A

>  <Target> (600)
DNA/RNA Synthesis

>  <Form> (600)
Hydrochloride

>  <URL> (600)
http://www.selleckchem.com/products/adenine-hydrochloride.html

>  <CAS Number> (600)
2922-28-3 

$$$$
Benidipine hydrochloride.cdx
csChFnd80/07171813022D

 38 40  0  0  0  0  0  0  0  0999 V2000
   12.1033    5.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.3458    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8909    3.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (601)
1037

>  <Formula> (601)
C28H32ClN3O6

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>  <Item Name> (601)
Benidipine hydrochloride

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S2017

>  <Synonyms> (601)
N/A

>  <Target> (601)
calcium channel

>  <Form> (601)
Hydrochloride

>  <URL> (601)
http://www.selleckchem.com/products/benidipine-hydrochloride.html

>  <CAS Number> (601)
91599-74-5

$$$$
Clorsulon.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (602)
1038

>  <Formula> (602)
C8H8Cl3N3O4S2

>  <MolWeight> (602)
380.65582

>  <Item Name> (602)
Clorsulon

>  <Catalog Number> (602)
S2613 

>  <Synonyms> (602)
N/A

>  <Target> (602)
Antifection

>  <Form> (602)
Free Base

>  <URL> (602)
http://www.selleckchem.com/products/clorsulon.html

>  <CAS Number> (602)
60200-06-8

$$$$
Fluticasone propionate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (603)
1040

>  <Formula> (603)
C25H31F3O5S

>  <MolWeight> (603)
500.5708496

>  <Item Name> (603)
Fluticasone propionate (Flonase, Veramyst)

>  <Catalog Number> (603)
S1992

>  <Synonyms> (603)
N/A 

>  <Target> (603)
Glucocorticoid Receptor

>  <Form> (603)
Free Base

>  <URL> (603)
http://www.selleckchem.com/products/fluticasone-propionate-Flonase-Veramyst.html

>  <CAS Number> (603)
80474-14-2

$$$$
Formoterol fumarate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (604)
1041

>  <Formula> (604)
C42H52N4O12

>  <MolWeight> (604)
804.88188

>  <Item Name> (604)
Formoterol hemifumarate

>  <Catalog Number> (604)
S2020

>  <Synonyms> (604)
N/A

>  <Target> (604)
Adrenergic Receptor

>  <Form> (604)
Hemifumarate

>  <URL> (604)
http://www.selleckchem.com/products/formoterol-hemifumarate.html

>  <CAS Number> (604)
43229-80-7

$$$$
Ketotifen fumarate.cdx
csChFnd80/07171813022D

 30 32  0  0  0  0  0  0  0  0999 V2000
    1.2570    3.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  1  1  0  0  0  0
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 22  5  1  0  0  0  0
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 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (605)
1042

>  <Formula> (605)
C23H23NO5S

>  <MolWeight> (605)
425.49742

>  <Item Name> (605)
Ketotifen fumarate (Zaditor)

>  <Catalog Number> (605)
S2024

>  <Synonyms> (605)
N/A 

>  <Target> (605)
Histamine Receptor

>  <Form> (605)
Fumarate 

>  <URL> (605)
http://www.selleckchem.com/products/ketotifen-fumarate-zaditor.html

>  <CAS Number> (605)
34580-14-8

$$$$
Lacidipine.cdx
csChFnd80/07171813022D

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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  8 20  1  0  0  0  0
 20 33  2  0  0  0  0
M  END
>  <Mol_ID> (606)
1043

>  <Formula> (606)
C26H33NO6

>  <MolWeight> (606)
455.54332

>  <Item Name> (606)
Lacidipine (Lacipil, Motens)

>  <Catalog Number> (606)
S1994

>  <Synonyms> (606)
Lacipil, Motens

>  <Target> (606)
Calcium Channel 

>  <Form> (606)
Free Base

>  <URL> (606)
http://www.selleckchem.com/products/lacidipine-lacipil-motens.html

>  <CAS Number> (606)
103890-78-4

$$$$
Meclizine dihydrochloride.cdx
csChFnd80/07171813022D

 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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  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
  1  7  1  0  0  0  0
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 10 11  1  0  0  0  0
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 14  9  1  0  0  0  0
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 23 24  2  0  0  0  0
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 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> (607)
1044

>  <Formula> (607)
C25H29Cl3N2

>  <MolWeight> (607)
463.87016

>  <Item Name> (607)
Meclizine dihydrochloride

>  <Catalog Number> (607)
S1986 

>  <Synonyms> (607)
N/A

>  <Target> (607)
Others

>  <Form> (607)
Dihydrochloride

>  <URL> (607)
http://www.selleckchem.com/products/meclizine-dihydrochloride.html

>  <CAS Number> (607)
1104-22-9

$$$$
MIRTAZAPINE (mirtazapine).cdx
csChFnd80/07171813022D

 20 23  0  0  0  0  0  0  0  0999 V2000
    3.9370    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    3.4117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    3.4117    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    1.0263    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    3.2370    5.8366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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 19  5  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (608)
1045

>  <Formula> (608)
C17H19N3

>  <MolWeight> (608)
265.35286

>  <Item Name> (608)
Mirtazapine (Remeron, Avanza)

>  <Catalog Number> (608)
S2016

>  <Synonyms> (608)
N/A 

>  <Target> (608)
5-HT Receptor

>  <Form> (608)
Free Base

>  <URL> (608)
http://www.selleckchem.com/products/mirtazapine-remeron-avanza.html

>  <CAS Number> (608)
85650-52-8 

$$$$
Mometasone furoate.cdx
csChFnd80/07171813022D

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   11.3425    7.8198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
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 11 12  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
  5 19  1  1  0  0  0
  9 20  1  1  0  0  0
 14 21  1  1  0  0  0
 12 22  1  1  0  0  0
 17 23  1  1  0  0  0
 10 24  1  6  0  0  0
 11 25  1  6  0  0  0
 16 26  1  6  0  0  0
 17 27  1  6  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 33  1  0  0  0  0
M  END
>  <Mol_ID> (609)
1046

>  <Formula> (609)
C27H30Cl2O6

>  <MolWeight> (609)
521.4295

>  <Item Name> (609)
Mometasone furoate

>  <Catalog Number> (609)
S1987

>  <Synonyms> (609)
N/A

>  <Target> (609)
Glucocorticoid Receptor

>  <Form> (609)
Furoate

>  <URL> (609)
http://www.selleckchem.com/products/mometasone-furoate.html

>  <CAS Number> (609)
83919-23-7

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/07171813022D

 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> (610)
1048

>  <Formula> (610)
C12H20ClN3O

>  <MolWeight> (610)
257.7597

>  <Item Name> (610)
Procarbazine hydrochloride (Matulane)

>  <Catalog Number> (610)
S1995

>  <Synonyms> (610)
N/A 

>  <Target> (610)
DNA/RNA

>  <Form> (610)
Hydrochloride

>  <URL> (610)
http://www.selleckchem.com/products/procarbazine-hydrochloride-matulane.html

>  <CAS Number> (610)
366-70-1

$$$$
Pidotimod.cdx
csChFnd80/07171813022D

 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
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 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 12  9  1  6  0  0  0
  3  9  1  0  0  0  0
M  END
>  <Mol_ID> (611)
1049

>  <Formula> (611)
C9H12N2O4S

>  <MolWeight> (611)
244.26758

>  <Item Name> (611)
Pidotimod

>  <Catalog Number> (611)
S3106

>  <Synonyms> (611)
N/A 

>  <Target> (611)
Others

>  <Form> (611)
Free Base

>  <URL> (611)
http://www.selleckchem.com/products/pidotimod.html

>  <CAS Number> (611)
121808-62-6

$$$$
Pyridoxine hydrochloride.cdx
csChFnd80/07171813022D

 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> (612)
1050

>  <Formula> (612)
C8H12ClNO3

>  <MolWeight> (612)
205.63878

>  <Item Name> (612)
Pyridoxine hydrochloride

>  <Catalog Number> (612)
S3113

>  <Synonyms> (612)
N/A 

>  <Target> (612)
Vitamin

>  <Form> (612)
Hydrochloride

>  <URL> (612)
http://www.selleckchem.com/products/pyridoxine-hydrochloride.html

>  <CAS Number> (612)
58-56-0

$$$$
Tetracaine hydrochloride.cdx
csChFnd80/07171813022D

 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> (613)
1051

>  <Formula> (613)
C15H25ClN2O2

>  <MolWeight> (613)
300.8242

>  <Item Name> (613)
Tetracaine hydrochloride (Pontocaine)

>  <Catalog Number> (613)
S2573 

>  <Synonyms> (613)
N/A 

>  <Target> (613)
Calcium Channel

>  <Form> (613)
Hydrochloride 

>  <URL> (613)
http://www.selleckchem.com/products/tetracaine-hydrochloride-pontocaine.html

>  <CAS Number> (613)
136-47-0

$$$$
Ticlopidine hydrochloride.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (614)
1052

>  <Formula> (614)
C14H15Cl2NS

>  <MolWeight> (614)
300.2466

>  <Item Name> (614)
Ticlopidine hydrochloride

>  <Catalog Number> (614)
S1984

>  <Synonyms> (614)
N/A

>  <Target> (614)
P2 Receptor

>  <Form> (614)
Hydrochloride

>  <URL> (614)
http://www.selleckchem.com/products/ticlopidine-hydrochloride.html

>  <CAS Number> (614)
53885-35-1

$$$$
Trazodone hydrochloride.cdx
csChFnd80/07171813022D

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 25 20  1  0  0  0  0
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M  END
>  <Mol_ID> (615)
1053

>  <Formula> (615)
C19H23Cl2N5O

>  <MolWeight> (615)
408.32482

>  <Item Name> (615)
Trazodone hydrochloride (Desyrel)

>  <Catalog Number> (615)
S2582

>  <Synonyms> (615)
N/A 

>  <Target> (615)
5-HT Receptor

>  <Form> (615)
Hydrochloride

>  <URL> (615)
http://www.selleckchem.com/products/trazodone-hydrochloride-desyrel.html

>  <CAS Number> (615)
25332-39-2 

$$$$
Urapidil hydrochloride.cdx
csChFnd80/07171813022D

 29 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (616)
1054

>  <Formula> (616)
C20H30ClN5O3

>  <MolWeight> (616)
423.9369

>  <Item Name> (616)
Urapidil hydrochloride

>  <Catalog Number> (616)
S2025

>  <Synonyms> (616)
N/A

>  <Target> (616)
5-HT Receptor

>  <Form> (616)
Hydrochloride

>  <URL> (616)
http://www.selleckchem.com/products/urapidil-hydrochloride.html

>  <CAS Number> (616)
64887-14-5

$$$$
Albendazole oxide.cdx
csChFnd80/07171813022D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (617)
1055

>  <Formula> (617)
C12H15N3O3S

>  <MolWeight> (617)
281.3308

>  <Item Name> (617)
Albendazole Oxide (Ricobendazole)

>  <Catalog Number> (617)
S1836

>  <Synonyms> (617)
N/A 

>  <Target> (617)
Microtubule Associated

>  <Form> (617)
Free Base

>  <URL> (617)
http://www.selleckchem.com/products/albendazole-oxide-ricobendazole.html

>  <CAS Number> (617)
54029-12-8

$$$$
Alibendol.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (618)
1056

>  <Formula> (618)
C13H17NO4

>  <MolWeight> (618)
251.27838

>  <Item Name> (618)
Alibendol

>  <Catalog Number> (618)
S1928

>  <Synonyms> (618)
N/A

>  <Target> (618)
Others

>  <Form> (618)
Free Base

>  <URL> (618)
http://www.selleckchem.com/products/alibendol.html

>  <CAS Number> (618)
26750-81-2

$$$$
Aspartame.cdx
csChFnd80/07171813022D

 21 21  0  0  0  0  0  0  0  0999 V2000
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 20 13  1  0  0  0  0
  5 21  1  1  0  0  0
M  END
>  <Mol_ID> (619)
1057

>  <Formula> (619)
C14H18N2O5

>  <MolWeight> (619)
294.30312

>  <Item Name> (619)
Aspartame

>  <Catalog Number> (619)
S2036

>  <Synonyms> (619)
Nutrasweet

>  <Target> (619)
Others

>  <Form> (619)
Free Base

>  <URL> (619)
http://www.selleckchem.com/products/aspartame.html

>  <CAS Number> (619)
22839-47-0

$$$$
Bifonazole.cdx
csChFnd80/07171813022D

 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> (620)
1058

>  <Formula> (620)
C22H18N2

>  <MolWeight> (620)
310.39172

>  <Item Name> (620)
Bifonazole

>  <Catalog Number> (620)
S1854

>  <Synonyms> (620)
N/A

>  <Target> (620)
Antifection

>  <Form> (620)
Free Base

>  <URL> (620)
http://www.selleckchem.com/products/bifonazole.html

>  <CAS Number> (620)
60628-96-8

$$$$
Butoconazole nitrate.cdx
csChFnd80/07171813022D

 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> (621)
1059

>  <Formula> (621)
C19H18Cl3N3O3S

>  <MolWeight> (621)
474.78852

>  <Item Name> (621)
Butoconazole nitrate

>  <Catalog Number> (621)
S1833

>  <Synonyms> (621)
N/A

>  <Target> (621)
Antifection

>  <Form> (621)
Nitrate

>  <URL> (621)
http://www.selleckchem.com/products/butoconazole-nitrate.html

>  <CAS Number> (621)
64872-77-1

$$$$
Disodium Cromoglycate.cdx
csChFnd80/07171813022D

 36 37  0  0  0  0  0  0  0  0999 V2000
    3.6289   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   11.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   12.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    9.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    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
    8.4744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3242    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.5703    6.2927    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1703    6.2927    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
  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  3  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 26  1  0  0  0  0
 30 31  2  0  0  0  0
 28 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (622)
1060

>  <Formula> (622)
C23H14Na2O11

>  <MolWeight> (622)
512.3302

>  <Item Name> (622)
Disodium Cromoglycate

>  <Catalog Number> (622)
S1911

>  <Synonyms> (622)
Gynazole

>  <Target> (622)
Calcium Channel

>  <Form> (622)
Disodium Salt

>  <URL> (622)
http://www.selleckchem.com/products/disodium-Cromoglycate.html

>  <CAS Number> (622)
15826-37-6

$$$$
Epalrestat.cdx
csChFnd80/07171813022D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    1.5656    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7735    1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    2.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    3.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    4.8920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3410    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8735    2.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5711    3.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9662    3.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8735    4.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 15 16  2  0  0  0  0
 13 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
>  <Mol_ID> (623)
1061

>  <Formula> (623)
C15H13NO3S2

>  <MolWeight> (623)
319.39862

>  <Item Name> (623)
Epalrestat

>  <Catalog Number> (623)
S2035 

>  <Synonyms> (623)
N/A

>  <Target> (623)
Others

>  <Form> (623)
Free Base

>  <URL> (623)
http://www.selleckchem.com/products/epalrestat.html

>  <CAS Number> (623)
82159-09-9

$$$$
Ganciclovir.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    1.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    3.8822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7604    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6939    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2628    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1963    3.4004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  7 11  1  0  0  0  0
  6 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (624)
1063

>  <Formula> (624)
C9H13N5O4

>  <MolWeight> (624)
255.23062

>  <Item Name> (624)
Ganciclovir

>  <Catalog Number> (624)
S1878

>  <Synonyms> (624)
Cytovene

>  <Target> (624)
Antifection

>  <Form> (624)
Free Base

>  <URL> (624)
http://www.selleckchem.com/products/ganciclovir.html

>  <CAS Number> (624)
82410-32-0

$$$$
Phentolamine mesilate.cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4216    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0498    4.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4498    3.1792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
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  9 10  2  0  0  0  0
 10  1  1  0  0  0  0
  3 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  3  1  0  0  0  0
  7 16  1  0  0  0  0
 13 17  1  0  0  0  0
  5 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  5  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (625)
1065

>  <Formula> (625)
C18H23N3O4S

>  <MolWeight> (625)
377.45792

>  <Item Name> (625)
Phentolamine Mesylate 

>  <Catalog Number> (625)
S2038

>  <Synonyms> (625)
Regitine

>  <Target> (625)
adrenergic receptor

>  <Form> (625)
Mesylate 

>  <URL> (625)
http://www.selleckchem.com/products/phentolamine-mesilate.html

>  <CAS Number> (625)
65-28-1

$$$$
Sulphadimethoxine.cdx
csChFnd80/07171813022D

 21 22  0  0  0  0  0  0  0  0999 V2000
    6.0538    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1480    0.8821    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
    2.4207    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8878    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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
  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  4  1  0  0  0  0
  2 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  2  1  0  0  0  0
  9 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (626)
1067

>  <Formula> (626)
C12H14N4O4S

>  <MolWeight> (626)
310.32896

>  <Item Name> (626)
Sulphadimethoxine

>  <Catalog Number> (626)
S1962

>  <Synonyms> (626)
Di-Methox, Albon

>  <Target> (626)
Antifection

>  <Form> (626)
Free Base

>  <URL> (626)
http://www.selleckchem.com/products/sulphadimethoxine.html

>  <CAS Number> (626)
122-11-2

$$$$
Tranexamic acid.cdx
csChFnd80/07171813022D

 11 11  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    6.9854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  1  6  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <Mol_ID> (627)
1068

>  <Formula> (627)
C8H15NO2

>  <MolWeight> (627)
157.2102

>  <Item Name> (627)
Tranexamic acid (Transamin)

>  <Catalog Number> (627)
S1875

>  <Synonyms> (627)
Cyklokapron 

>  <Form> (627)
Free Base

>  <URL> (627)
http://www.selleckchem.com/products/tranexamic-acid-transamin.html

>  <CAS Number> (627)
1197-18-8

$$$$
Uridine.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.6315    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6315    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    2.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    3.6555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0564    5.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2646    5.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8440    1.5604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4233    2.9579    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1443    3.5274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2075    2.4870    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9075    1.2745    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2769    1.5656    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8200    2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3401    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3137    0.6321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  2  0  0  0  0
  3  8  2  0  0  0  0
  9  2  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 11 14  1  1  0  0  0
 14 15  1  0  0  0  0
 12 16  1  6  0  0  0
 13 17  1  6  0  0  0
M  END
>  <Mol_ID> (628)
1069

>  <Formula> (628)
C9H12N2O6

>  <MolWeight> (628)
244.20138

>  <Item Name> (628)
Uridine

>  <Catalog Number> (628)
S2029

>  <Synonyms> (628)
N/A

>  <Target> (628)
DNA/RNA Synthesis

>  <Form> (628)
Free Base

>  <URL> (628)
http://www.selleckchem.com/products/uridine.html

>  <CAS Number> (628)
58-96-8

$$$$
ENALAPRILAT (enalaprilat).cdx
csChFnd80/07171813022D

 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
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   11.1920    2.4814    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
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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
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
 14 15  1  0  0  0  0
 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
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 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> (629)
1070

>  <Formula> (629)
C18H28N2O7

>  <MolWeight> (629)
384.42412

>  <Item Name> (629)
Enalaprilat dihydrate

>  <Catalog Number> (629)
S1657

>  <Synonyms> (629)
N/A

>  <Target> (629)
RAAS

>  <Form> (629)
Dihydrate

>  <URL> (629)
http://www.selleckchem.com/products/Enalaprilat.html

>  <CAS Number> (629)
84680-54-6 

$$$$
Cefoperazone acid.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (630)
1071

>  <Formula> (630)
C25H27N9O8S2

>  <MolWeight> (630)
645.66738

>  <Item Name> (630)
Cefoperazone (Cefobid)

>  <Catalog Number> (630)
S1611

>  <Synonyms> (630)
N/A 

>  <Target> (630)
Antifection

>  <Form> (630)
Free Base

>  <URL> (630)
http://www.selleckchem.com/products/cefoperazone-cefobid.html

>  <CAS Number> (630)
62893-19-0

$$$$
Acemetacin.cdx
csChFnd80/07171813022D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (631)
1072

>  <Formula> (631)
C21H18ClNO6

>  <MolWeight> (631)
415.82372

>  <Item Name> (631)
Acemetacin (Emflex)

>  <Catalog Number> (631)
S2602

>  <Synonyms> (631)
N/A 

>  <Target> (631)
COX

>  <Form> (631)
Free Base

>  <URL> (631)
http://www.selleckchem.com/products/acemetacin-emflex.html

>  <CAS Number> (631)
53164-05-9

$$$$
NATACYN (natamycin).cdx
csChFnd80/07171813022D

 50 53  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (632)
1073

>  <Formula> (632)
C33H47NO13

>  <MolWeight> (632)
665.72518

>  <Item Name> (632)
Natamycin

>  <Catalog Number> (632)
S1517

>  <Synonyms> (632)
Pimaricin

>  <Target> (632)
Antifection

>  <Form> (632)
Free Base

>  <URL> (632)
http://www.selleckchem.com/products/Natamycin(Pimaricin).htm

>  <CAS Number> (632)
7681-93-8

$$$$
Nystatin (Fungicidin).cdx
csChFnd80/07171813022D

 67 69  0  0  0  0  0  0  0  0999 V2000
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   18.1823   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6072   10.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7575    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9699    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1823    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 46  1  6  0  0  0
 29 47  1  6  0  0  0
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 20 50  1  1  0  0  0
 22 51  1  1  0  0  0
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 52 54  1  0  0  0  0
 43 55  1  1  0  0  0
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 24 67  1  1  0  0  0
M  END
>  <Mol_ID> (633)
1074

>  <Formula> (633)
C47H75NO17

>  <MolWeight> (633)
926.0949

>  <Item Name> (633)
Nystatin (Fungicidin)

>  <Catalog Number> (633)
S1934

>  <Synonyms> (633)
N/A

>  <Target> (633)
Others

>  <Form> (633)
Free Base

>  <URL> (633)
http://www.selleckchem.com/products/Nystatin(Mycostatin).htm

>  <CAS Number> (633)
1400-61-9

$$$$
Buflomedil hydrochloride.cdx
csChFnd80/07171813022D

 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> (634)
1075

>  <Formula> (634)
C17H26ClNO4

>  <MolWeight> (634)
343.84564

>  <Item Name> (634)
Buflomedil HCl

>  <Catalog Number> (634)
S2607

>  <Synonyms> (634)
N/A

>  <Target> (634)
Adrenergic Receptor

>  <Form> (634)
Hydrochloride

>  <URL> (634)
http://www.selleckchem.com/products/auflomedil-hcl.html

>  <CAS Number> (634)
35543-24-9

$$$$
Clindamycin palmitate hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (635)
1076

>  <Formula> (635)
C34H64Cl2N2O6S

>  <MolWeight> (635)
699.85276

>  <Item Name> (635)
Clindamycin palmitate HCl

>  <Catalog Number> (635)
S2596

>  <Synonyms> (635)
N/A

>  <Target> (635)
Others

>  <Form> (635)
Hydrochloride

>  <URL> (635)
http://www.selleckchem.com/products/clindamycin-palmitate-hcl.html

>  <CAS Number> (635)
25507-04-4 

$$$$
Clobetasol propionate.cdx
csChFnd80/07171813022D

 36 39  0  0  0  0  0  0  0  0999 V2000
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    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6372    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0268    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2392    5.3326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8143    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  4  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 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
 16 24  1  1  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 16 33  1  6  0  0  0
 23 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 36  2  0  0  0  0
M  END
>  <Mol_ID> (636)
1077

>  <Formula> (636)
C25H32ClFO5

>  <MolWeight> (636)
466.9699832

>  <Item Name> (636)
Clobetasol propionate

>  <Catalog Number> (636)
S2584

>  <Synonyms> (636)
N/A

>  <Target> (636)
Glucocorticoid Receptor

>  <Form> (636)
Free Base

>  <URL> (636)
http://www.selleckchem.com/products/clobetasol-propionate.html

>  <CAS Number> (636)
25122-46-7

$$$$
Flubendazole.cdx
csChFnd80/07171813022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.6322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9496    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5190    3.6954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6472    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0423    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    2.4165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7399    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1350    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  1  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  4 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  4  1  0  0  0  0
  7 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 17 19  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (637)
1079

>  <Formula> (637)
C16H12FN3O3

>  <MolWeight> (637)
313.2831832

>  <Item Name> (637)
Flubendazole (Flutelmium)

>  <Catalog Number> (637)
S1837

>  <Synonyms> (637)
N/A 

>  <Target> (637)
Others

>  <Form> (637)
Free Base

>  <URL> (637)
http://www.selleckchem.com/products/flubendazole-flutelmium.html

>  <CAS Number> (637)
31430-15-6

$$$$
Lonidamine.cdx
csChFnd80/07171813022D

 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
    1.2124    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1875    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  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
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  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
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <Mol_ID> (638)
1080

>  <Formula> (638)
C15H10Cl2N2O2

>  <MolWeight> (638)
321.1581

>  <Item Name> (638)
Lonidamine

>  <Catalog Number> (638)
S2610

>  <Synonyms> (638)
N/A

>  <Target> (638)
Others

>  <Form> (638)
Free Base

>  <URL> (638)
http://www.selleckchem.com/products/lonidamine.html

>  <CAS Number> (638)
50264-69-2

$$$$
L-Thyroxine.cdx
csChFnd80/07171813022D

 24 25  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    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    5.6097    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4024    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    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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  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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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
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 16 11  1  0  0  0  0
 16 17  1  0  0  0  0
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 14 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 20 24  1  1  0  0  0
M  END
>  <Mol_ID> (639)
1081

>  <Formula> (639)
C15H11I4NO4

>  <MolWeight> (639)
776.87002

>  <Item Name> (639)
L-Thyroxine

>  <Catalog Number> (639)
S2599

>  <Synonyms> (639)
N/A

>  <Target> (639)
Others

>  <Form> (639)
Free Base

>  <URL> (639)
http://www.selleckchem.com/products/l-thyroxine.html

>  <CAS Number> (639)
51-48-9

$$$$
Miglitol.cdx
csChFnd80/07171813022D

 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
    3.4951    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3976    4.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903    2.4207    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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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (640)
1082

>  <Formula> (640)
C8H17NO5

>  <MolWeight> (640)
207.22428

>  <Item Name> (640)
Miglitol (Glyset)

>  <Catalog Number> (640)
S2589

>  <Synonyms> (640)
N/A 

>  <Target> (640)
Others

>  <Form> (640)
Free Base

>  <URL> (640)
http://www.selleckchem.com/products/miglitol-glyset.html

>  <CAS Number> (640)
72432-03-2

$$$$
Phenacetin.cdx
csChFnd80/07171813022D

 13 13  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 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
    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
    9.7079    2.8073    0.0000 C   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
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  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
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  5 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
M  END
>  <Mol_ID> (641)
1084

>  <Formula> (641)
C10H13NO2

>  <MolWeight> (641)
179.21572

>  <Item Name> (641)
Phenacetin

>  <Catalog Number> (641)
S2577

>  <Synonyms> (641)
N/A

>  <Target> (641)
COX

>  <Form> (641)
Free Base

>  <URL> (641)
http://www.selleckchem.com/products/phenacetin.html

>  <CAS Number> (641)
62-44-2

$$$$
Streptomycin sulfate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (642)
1086

>  <Formula> (642)
C42H84N14O36S3

>  <MolWeight> (642)
1457.38356

>  <Item Name> (642)
Streptomycin sulfate

>  <Catalog Number> (642)
S2572

>  <Synonyms> (642)
N/A

>  <Target> (642)
Antifection

>  <Form> (642)
1.5 Sulfate

>  <URL> (642)
http://www.selleckchem.com/products/streptomycin-sulfate.html

>  <CAS Number> (642)
3810-74-0 

$$$$
Tetracycline hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (643)
1087

>  <Formula> (643)
C22H25ClN2O8

>  <MolWeight> (643)
480.8955

>  <Item Name> (643)
Tetracycline hydrochloride

>  <Catalog Number> (643)
S2574 

>  <Synonyms> (643)
N/A

>  <Target> (643)
Antifection

>  <Form> (643)
Hydrochloride

>  <URL> (643)
http://www.selleckchem.com/products/tetracycline-hydrochloride.html

>  <CAS Number> (643)
64-75-5

$$$$
Thiamphenicol.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (644)
1088

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C12H15Cl2NO5S

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Thiamphenicol (Thiophenicol)

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S2583

>  <Synonyms> (644)
N/A 

>  <Target> (644)
Antifection

>  <Form> (644)
Free Base

>  <URL> (644)
http://www.selleckchem.com/products/thiamphenicol-thiophenicol.html

>  <CAS Number> (644)
15318-45-3

$$$$
Tolfenamic acid.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (645)
1089

>  <Formula> (645)
C14H12ClNO2

>  <MolWeight> (645)
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>  <Item Name> (645)
Tolfenamic acid

>  <Catalog Number> (645)
S1959

>  <Synonyms> (645)
N/A

>  <Target> (645)
COX

>  <Form> (645)
Free Base

>  <URL> (645)
http://www.selleckchem.com/products/tolfenamic-acid.html

>  <CAS Number> (645)
13710-19-5

$$$$
Tolvaptan.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (646)
1090

>  <Formula> (646)
C26H25ClN2O3

>  <MolWeight> (646)
448.9413

>  <Item Name> (646)
Tolvaptan (OPC-41061)

>  <Catalog Number> (646)
S2593

>  <Synonyms> (646)
Samsca 

>  <Target> (646)
Estrogen/progestogen Receptor

>  <Form> (646)
Free Base

>  <URL> (646)
http://www.selleckchem.com/products/tolvaptan-opc-41061.html

>  <CAS Number> (646)
150683-30-0

$$$$
Zidovudine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (647)
1091

>  <Formula> (647)
C10H13N5O4

>  <MolWeight> (647)
267.24132

>  <Item Name> (647)
Zidovudine (Retrovir)

>  <Catalog Number> (647)
S2579

>  <Synonyms> (647)
azidothymidine

>  <Target> (647)
Reverse Transcriptase

>  <Form> (647)
Free Base

>  <URL> (647)
http://www.selleckchem.com/products/zidovudine-retrovir.html

>  <CAS Number> (647)
30516-87-1

$$$$
Gliclazide.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (648)
1097

>  <Formula> (648)
C15H21N3O3S

>  <MolWeight> (648)
323.41054

>  <Item Name> (648)
Gliclazide (Diamicron)

>  <Catalog Number> (648)
S2601 

>  <Synonyms> (648)
N/A 

>  <Target> (648)
Potassium Channel

>  <Form> (648)
Free Base

>  <URL> (648)
http://www.selleckchem.com/products/gliclazide-diamicron.html

>  <CAS Number> (648)
21187-98-4

$$$$
Idebenone.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (649)
1098

>  <Formula> (649)
C19H30O5

>  <MolWeight> (649)
338.4385

>  <Item Name> (649)
Idebenone

>  <Catalog Number> (649)
S2605 

>  <Synonyms> (649)
N/A

>  <Target> (649)
ROS

>  <Form> (649)
Free Base

>  <URL> (649)
http://www.selleckchem.com/products/idebenone.html

>  <CAS Number> (649)
58186-27-9

$$$$
Quinapril hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (650)
1100

>  <Formula> (650)
C25H31ClN2O5

>  <MolWeight> (650)
474.97704

>  <Item Name> (650)
Quinapril hydrochloride (Accupril)

>  <Catalog Number> (650)
S2581

>  <Synonyms> (650)
N/A 

>  <Target> (650)
RAAS

>  <Form> (650)
Hydrochloride

>  <URL> (650)
http://www.selleckchem.com/products/quinapril-hydrochloride-accupril.html

>  <CAS Number> (650)
82586-55-8

$$$$
Atracurium besylate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (651)
1103

>  <Formula> (651)
C65H82N2O18S2

>  <MolWeight> (651)
1243.47918

>  <Item Name> (651)
Atracurium besylate

>  <Catalog Number> (651)
S1832

>  <Synonyms> (651)
N/A

>  <Target> (651)
AChR

>  <Form> (651)
Dibesylate

>  <URL> (651)
http://www.selleckchem.com/products/atracurium-besylate.html

>  <CAS Number> (651)
64228-81-5

$$$$
Captopril.cdx
csChFnd80/07171813022D

 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
    5.6544    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6544    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229    1.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    5.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802    5.8789    0.0000 O   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
    1.4000    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  1  7  2  0  0  0  0
  1  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  1  1  0  0  0
 11 14  1  0  0  0  0
  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (652)
1104

>  <Formula> (652)
C9H15NO3S

>  <MolWeight> (652)
217.2853

>  <Item Name> (652)
Captopril (Capoten)

>  <Catalog Number> (652)
S2051

>  <Synonyms> (652)
N/A 

>  <Target> (652)
RAAS

>  <Form> (652)
Free Base

>  <URL> (652)
http://www.selleckchem.com/products/captopril-capoten.html

>  <CAS Number> (652)
62571-86-2

$$$$
Clindamycin phosphate.cdx
csChFnd80/07171813022D

 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
    5.2158    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
   10.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8531    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2738    2.7976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.5527    2.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4895    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7895    4.4810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.4201    4.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2158    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3570    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8428    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7445    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3119    7.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    4.8976    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    6.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (653)
1105

>  <Formula> (653)
C18H34ClN2O8PS

>  <MolWeight> (653)
504.962921

>  <Item Name> (653)
Clindamycin phosphate

>  <Catalog Number> (653)
S2048

>  <Synonyms> (653)
N/A

>  <Target> (653)
Antifection

>  <Form> (653)
Free Base

>  <URL> (653)
http://www.selleckchem.com/products/clindamycin-phosphate.html

>  <CAS Number> (653)
24729-96-2

$$$$
Cyproheptadine hydrochloride.cdx
csChFnd80/07171813022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.9370    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5098    7.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6370    8.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2370    8.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    7.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    7.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    5.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    5.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624    5.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739    7.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    7.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1494    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8593    2.4743    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  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  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  2  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (654)
1106

>  <Formula> (654)
C21H22ClN

>  <MolWeight> (654)
323.85908

>  <Item Name> (654)
Cyproheptadine hydrochloride (Periactin)

>  <Catalog Number> (654)
S2044

>  <Synonyms> (654)
N/A 

>  <Target> (654)
Histamine Receptor

>  <Form> (654)
Hydrochloride

>  <URL> (654)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride-periactin.html

>  <CAS Number> (654)
969-33-5 

$$$$
Cyproterone acetate.cdx
csChFnd80/07171813022D

 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
    0.0000    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    6.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (655)
1107

>  <Formula> (655)
C24H29ClO4

>  <MolWeight> (655)
416.93766

>  <Item Name> (655)
Cyproterone acetate

>  <Catalog Number> (655)
S2042

>  <Synonyms> (655)
N/A

>  <Target> (655)
Androgen Receptor/P450

>  <Form> (655)
Free Base

>  <URL> (655)
http://www.selleckchem.com/products/cyproterone-acetate.html

>  <CAS Number> (655)
427-51-0

$$$$
Doxifluridine.cdx
csChFnd80/07171813022D

 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> (656)
1109

>  <Formula> (656)
C9H11FN2O5

>  <MolWeight> (656)
246.1924432

>  <Item Name> (656)
Doxifluridine

>  <Catalog Number> (656)
S2045

>  <Synonyms> (656)
N/A

>  <Target> (656)
Phosphorylase

>  <Form> (656)
Free Base

>  <URL> (656)
http://www.selleckchem.com/products/doxifluridine.html

>  <CAS Number> (656)
3094-09-5

$$$$
Etidronate.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (657)
1110

>  <Formula> (657)
C2H8O7P2

>  <MolWeight> (657)
206.028242

>  <Item Name> (657)
Etidronate (Didronel)

>  <Catalog Number> (657)
S1857

>  <Synonyms> (657)
N/A 

>  <Target> (657)
phosphatase

>  <Form> (657)
Free Base

>  <URL> (657)
http://www.selleckchem.com/products/etidronate-didronel.html

>  <CAS Number> (657)
2809-21-4

$$$$
Gimeracil.cdx
csChFnd80/07171813022D

  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
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M  END
>  <Mol_ID> (658)
1111

>  <Formula> (658)
C5H4ClNO2

>  <MolWeight> (658)
145.54376

>  <Item Name> (658)
Gimeracil

>  <Catalog Number> (658)
S2055

>  <Synonyms> (658)
N/A

>  <Target> (658)
Dehydrogenase

>  <Form> (658)
Free Base

>  <URL> (658)
http://www.selleckchem.com/products/gimeracil.html

>  <CAS Number> (658)
103766-25-2

$$$$
Lornoxicam.cdx
csChFnd80/07171813022D

 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
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    0.0000    5.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8101    3.7451    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2662    5.4076    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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 10 22  2  0  0  0  0
 10 23  2  0  0  0  0
M  END
>  <Mol_ID> (659)
1112

>  <Formula> (659)
C13H10ClN3O4S2

>  <MolWeight> (659)
371.8192

>  <Item Name> (659)
Lornoxicam (Xefo)

>  <Catalog Number> (659)
S2047

>  <Synonyms> (659)
N/A 

>  <Target> (659)
COX

>  <Form> (659)
Free Base

>  <URL> (659)
http://www.selleckchem.com/products/lornoxicam-xefo.html

>  <CAS Number> (659)
70374-39-9

$$$$
Memantine HCl.cdx
csChFnd80/07171813022D

 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
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  6 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (660)
1113

>  <Formula> (660)
C12H22ClN

>  <MolWeight> (660)
215.76278

>  <Item Name> (660)
Memantine hydrochloride (Namenda)

>  <Catalog Number> (660)
S2043

>  <Synonyms> (660)
N/A 

>  <Target> (660)
AMPA Receptor-kainate Receptor-NMDA Receptor

>  <Form> (660)
Hydrochloride

>  <URL> (660)
http://www.selleckchem.com/products/memantine-hydrochloride-namenda.html

>  <CAS Number> (660)
41100-52-1

$$$$
Metoprolol tartrate.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (661)
1114

>  <Formula> (661)
C34H56N2O12

>  <MolWeight> (661)
684.81464

>  <Item Name> (661)
Metoprolol tartrate

>  <Catalog Number> (661)
S1856

>  <Synonyms> (661)
N/A

>  <Target> (661)
Adrenergic Receptor

>  <Form> (661)
Tartrate

>  <URL> (661)
http://www.selleckchem.com/products/metoprolol-tartrate.html

>  <CAS Number> (661)
392-17-7

$$$$
Nimesulide.cdx
csChFnd80/07171813022D

 21 22  0  0  0  0  0  0  0  0999 V2000
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 21  9  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (662)
1115

>  <Formula> (662)
C13H12N2O5S

>  <MolWeight> (662)
308.30978

>  <Item Name> (662)
Nimesulide

>  <Catalog Number> (662)
S2040

>  <Synonyms> (662)
N/A

>  <Target> (662)
COX

>  <Form> (662)
Free Base

>  <URL> (662)
http://www.selleckchem.com/products/nimesulide.html

>  <CAS Number> (662)
51803-78-2

$$$$
Noradrenaline bitartrate.cdx
csChFnd80/07171813022D

 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
    7.2578    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6082    1.5458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8206    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0288    1.5483    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8206    3.6410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2371    2.2458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4453    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6535    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4453    0.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3288    0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5371    3.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7288    0.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0722    1.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  9 12  1  1  0  0  0
  9 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 16 22  1  1  0  0  0
 18 23  1  1  0  0  0
 18 24  1  6  0  0  0
 16 25  1  6  0  0  0
M  END
>  <Mol_ID> (663)
1116

>  <Formula> (663)
C12H19NO10

>  <MolWeight> (663)
337.27996

>  <Item Name> (663)
Noradrenaline bitartrate monohydrate (Levoph

>  <Catalog Number> (663)
S2615

>  <Synonyms> (663)
N/A 

>  <Target> (663)
Adrenergic Receptor

>  <Form> (663)
bitartrate monohydrate

>  <URL> (663)
http://www.selleckchem.com/products/noradrenaline-bitartrate-monohydrate-levophed.html

>  <CAS Number> (663)
108341-18-0

$$$$
Orphenadrine citrate.cdx
csChFnd80/07171813022D

 33 33  0  0  0  0  0  0  0  0999 V2000
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.8098    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6500    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    7.0146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    8.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    6.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2957    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    2.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0791    4.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5553    2.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7719    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    2.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    3.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8341    2.3293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6217    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7719    4.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1968    4.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9844    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4092    5.1293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5604    1.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  1 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
  4 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  4  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 22 29  2  0  0  0  0
 24 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 24 33  1  0  0  0  0
M  END
>  <Mol_ID> (664)
1117

>  <Formula> (664)
C24H31NO8

>  <MolWeight> (664)
461.50484

>  <Item Name> (664)
Orphenadrine citrate (Norflex)

>  <Catalog Number> (664)
S2054

>  <Synonyms> (664)
N/A 

>  <Target> (664)
AChR

>  <Form> (664)
Citrate

>  <URL> (664)
http://www.selleckchem.com/products/orphenadrine-citrate-norflex.html

>  <CAS Number> (664)
4682-36-4

$$$$
Oxytetracycline dihydrate.cdx
csChFnd80/07171813022D

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.7229    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2746    6.0229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    3.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.7229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.5278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    4.6229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.5302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    6.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.1181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    8.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4181    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474    7.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    7.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7579    4.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3580    4.4707    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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
  3 19  1  0  0  0  0
 11 20  1  0  0  0  0
  7 21  2  0  0  0  0
  7  8  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 17 26  1  0  0  0  0
 13 27  1  6  0  0  0
 18 28  1  6  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 14 31  1  6  0  0  0
  9 32  1  6  0  0  0
 10 33  1  1  0  0  0
 10 34  1  6  0  0  0
 12 35  1  6  0  0  0
M  END
>  <Mol_ID> (665)
1118

>  <Formula> (665)
C22H28N2O11

>  <MolWeight> (665)
496.46452

>  <Item Name> (665)
Oxytetracycline dihydrate

>  <Catalog Number> (665)
S2052 

>  <Synonyms> (665)
N/A

>  <Target> (665)
Others

>  <Form> (665)
Dihydrate

>  <URL> (665)
http://www.selleckchem.com/products/oxytetracycline-dihydrate.html

>  <CAS Number> (665)
6153-64-6

$$$$
Pioglitazone hydrochloride.cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    4.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.5500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6619    3.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0313    2.8666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7313    4.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7945    5.1194    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1188    4.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6251    2.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  2  0  0  0  0
 20 25  2  0  0  0  0
M  END
>  <Mol_ID> (666)
1119

>  <Formula> (666)
C19H21ClN2O3S

>  <MolWeight> (666)
392.89964

>  <Item Name> (666)
Pioglitazone hydrochloride (Actos)

>  <Catalog Number> (666)
S2046

>  <Synonyms> (666)
N/A 

>  <Target> (666)
P450 (e.g. CYP17)

>  <Form> (666)
Hydrochloride

>  <URL> (666)
http://www.selleckchem.com/products/pioglitazone-hydrochloride-actos.html

>  <CAS Number> (666)
112529-15-4

$$$$
Pramiracetam.cdx
csChFnd80/07171813022D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.4595    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    5.6495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8802    3.5568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    3.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    4.2568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5175    5.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3092    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    6.3495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    3.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7257    2.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9339    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4595    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3269    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 15 19  2  0  0  0  0
M  END
>  <Mol_ID> (667)
1120

>  <Formula> (667)
C14H27N3O2

>  <MolWeight> (667)
269.38308

>  <Item Name> (667)
Pramiracetam

>  <Catalog Number> (667)
S2594

>  <Synonyms> (667)
N/A

>  <Target> (667)
Others

>  <Form> (667)
Free Base

>  <URL> (667)
http://www.selleckchem.com/products/pramiracetam.html

>  <CAS Number> (667)
68497-62-1

$$$$
TZ-3 (tioconazole)cdx.cdx
csChFnd80/07171813022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.6280    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6280    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    4.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    5.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0529    6.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    7.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4198    4.4210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    8.6137    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8404    3.0234    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6322    2.3259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0487    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569    3.0234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5358    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4726    3.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7726    4.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4032    4.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (668)
1122

>  <Formula> (668)
C16H13Cl3N2OS

>  <MolWeight> (668)
387.71122

>  <Item Name> (668)
Tioconazole

>  <Catalog Number> (668)
S1910

>  <Synonyms> (668)
N/A

>  <Target> (668)
Antifection

>  <Form> (668)
Free Base

>  <URL> (668)
http://www.selleckchem.com/products/tioconazole.html

>  <CAS Number> (668)
65899-73-2

$$$$
Valaciclovir hydrochloride.cdx
csChFnd80/07171813022D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    6.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    2.5424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    3.2424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    3.2424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4558    2.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    3.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    1.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.6424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0566    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  6  5  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  1  0  0  0
M  END
>  <Mol_ID> (669)
1123

>  <Formula> (669)
C13H21ClN6O4

>  <MolWeight> (669)
360.79664

>  <Item Name> (669)
Valaciclovir HCl

>  <Catalog Number> (669)
S1876

>  <Synonyms> (669)
N/A

>  <Target> (669)
Antifection

>  <Form> (669)
Hydrochloride

>  <URL> (669)
http://www.selleckchem.com/products/valaciclovir-hcl.html

>  <CAS Number> (669)
124832-27-5 

$$$$
OMNISCAN (gadodiamide).cdx
csChFnd80/07171813022D

 31 28  0  0  0  0  0  0  0  0999 V2000
    4.0376    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0376    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4624    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6749    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6749    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8831    2.0951    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   11.3080    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3080    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6707    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8789   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1409    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0955    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1115    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
    0.0577    3.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  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  4  1  0  0  0  0
  9 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 11  1  0  0  0  0
  5 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
  1 21  1  0  0  0  0
 21 22  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
 25 28  2  0  0  0  0
 13 29  2  0  0  0  0
M  END
>  <Mol_ID> (670)
1125

>  <Formula> (670)
C16H28GdN5O9

>  <MolWeight> (670)
591.67162

>  <Item Name> (670)
Gadodiamide Hydrate

>  <Catalog Number> (670)
S1751

>  <Synonyms> (670)
Omniscan

>  <Target> (670)
Others

>  <Form> (670)
Hydrate

>  <URL> (670)
http://www.selleckchem.com/products/Gadodiamide(Omniscan).html

>  <CAS Number> (670)
122795-43-1

$$$$
PENETREX (enoxacin).cdx
csChFnd80/07171813022D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    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 N   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
    7.2704    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.8951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16  5  1  0  0  0  0
  1 17  1  0  0  0  0
 16 18  2  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (671)
1132

>  <Formula> (671)
C15H17FN4O3

>  <MolWeight> (671)
320.3188832

>  <Item Name> (671)
Enoxacin (Penetrex)

>  <Catalog Number> (671)
S1756

>  <Synonyms> (671)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (671)
Topoisomerase

>  <Form> (671)
Free Base

>  <URL> (671)
http://www.selleckchem.com/products/Enoxacin(Penetrex).html

>  <CAS Number> (671)
74011-58-8

$$$$
CAPITAL SOLEIL 15 (avobenzone ).cdx
csChFnd80/07171813022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Avobenzone (Parsol 1789)

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Eusolex 9020, Escalol 517, Parsol 1789 

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Free Base

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http://www.selleckchem.com/products/Avobenzone(Parsol-1789).html

>  <CAS Number> (672)
70356-09-1

$$$$
AT13387.cdx
csChFnd80/07171813022D

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N/A

>  <Target> (673)
HSP

>  <Form> (673)
Free Base

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http://www.selleckchem.com/products/at13387.html

>  <CAS Number> (673)
912999-49-6

$$$$
Ganetespib(STA-9090).cdx
csChFnd80/07171813022D

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>  <Synonyms> (674)
N/A 

>  <Target> (674)
HSP

>  <Form> (674)
Free Base

>  <URL> (674)
http://www.selleckchem.com/products/ganetespib-sta-9090.html

>  <CAS Number> (674)
888216-25-9

$$$$
Lapatinib freebase.cdx
csChFnd80/07171813022D

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EGFR, HER2

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>  <URL> (675)
http://www.selleckchem.com/products/lapatinib.html

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231277-92-2

$$$$
Amiodarone hydrochloride.cdx
csChFnd80/07171813022D

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Amiodarone HCl

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S1979 

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N/A

>  <Target> (676)
Potassium Channel

>  <Form> (676)
Hydrochloride

>  <URL> (676)
http://www.selleckchem.com/products/amiodarone-hcl.html

>  <CAS Number> (676)
19774-82-4

$$$$
Pefloxacine mesylate.cdx
csChFnd80/07171813022D

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C18H24FN3O6S

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>  <Item Name> (677)
Pefloxacin mesylate

>  <Catalog Number> (677)
S1855 

>  <Synonyms> (677)
N/A

>  <Target> (677)
Antifection

>  <Form> (677)
Mesylate

>  <URL> (677)
http://www.selleckchem.com/products/pefloxacin-mesylate.html

>  <CAS Number> (677)
70458-95-6

$$$$
ARQ-197.cdx
csChFnd80/07171813022D

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1151

>  <Formula> (678)
C23H19N3O2

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>  <Item Name> (678)
ARQ 197 (Tivantinib)

>  <Catalog Number> (678)
S2753 

>  <Synonyms> (678)
N/A 

>  <Target> (678)
c-Met

>  <Form> (678)
Free Base

>  <URL> (678)
http://www.selleckchem.com/products/arq-197.html

>  <CAS Number> (678)
905854-02-6

$$$$
CEP-18770.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (679)
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S1157 

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N/A

>  <Target> (679)
Proteasome

>  <Form> (679)
Free Base

>  <URL> (679)
http://www.selleckchem.com/products/cep-18770.html

>  <CAS Number> (679)
847499-27-8

$$$$
Canagliflozin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (680)
1162

>  <Formula> (680)
C24H25FO5S

>  <MolWeight> (680)
444.5157032

>  <Item Name> (680)
Canagliflozin

>  <Catalog Number> (680)
S2760 

>  <Synonyms> (680)
N/A

>  <Target> (680)
SGLT 

>  <Form> (680)
Free Base

>  <URL> (680)
http://www.selleckchem.com/products/canagliflozin.html

>  <CAS Number> (680)
842133-18-0

$$$$
Laquinimod(ABR-215062).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (681)
1179

>  <Formula> (681)
C19H17ClN2O3

>  <MolWeight> (681)
356.80288

>  <Item Name> (681)
Laquinimod (ABR-215062)

>  <Catalog Number> (681)
S2787 

>  <Synonyms> (681)
N/A 

>  <Target> (681)
Immunology & Inflammation related

>  <Form> (681)
Free Base

>  <URL> (681)
http://www.selleckchem.com/products/laquinimod-abr-215062.html

>  <CAS Number> (681)
248281-84-7

$$$$
CP-690550.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (682)
1181

>  <Formula> (682)
C16H20N6O

>  <MolWeight> (682)
312.3696

>  <Item Name> (682)
Tofacitinib (CP-690550, Tasocitinib)

>  <Catalog Number> (682)
S2789

>  <Synonyms> (682)
Tasocitinib 

>  <Target> (682)
JAK

>  <Form> (682)
Free Base

>  <URL> (682)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

>  <CAS Number> (682)
477600-75-2

$$$$
Istradefylline (KW-6002).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (683)
1182

>  <Formula> (683)
C20H24N4O4

>  <MolWeight> (683)
384.42896

>  <Item Name> (683)
Istradefylline (KW-6002)

>  <Catalog Number> (683)
S2790

>  <Synonyms> (683)
N/A

>  <Target> (683)
Adenosine Receptor

>  <Form> (683)
Free Base

>  <URL> (683)
http://www.selleckchem.com/products/istradefylline-kw-6002.html

>  <CAS Number> (683)
155270-99-8

$$$$
Torcetrapib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (684)
1183

>  <Formula> (684)
C26H25F9N2O4

>  <MolWeight> (684)
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>  <Item Name> (684)
Torcetrapib (CP-529414)

>  <Catalog Number> (684)
S2792

>  <Synonyms> (684)
N/A 

>  <Target> (684)
CETP

>  <Form> (684)
Free Base

>  <URL> (684)
http://www.selleckchem.com/products/torcetrapib-cp-529414.html

>  <CAS Number> (684)
262352-17-0

$$$$
Plerixafor 8HCl.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (685)
1187

>  <Formula> (685)
C28H62Cl8N8

>  <MolWeight> (685)
794.46948

>  <Item Name> (685)
Plerixafor 8HCl (DB06809)

>  <Catalog Number> (685)
S3013 

>  <Synonyms> (685)
AMD3100 

>  <Target> (685)
CXCR

>  <Form> (685)
Octahydrochloride 

>  <URL> (685)
http://www.selleckchem.com/products/plerixafor-8hcl-db06809.html

>  <CAS Number> (685)
155148-31-5

$$$$
Ciclopirox ethanolamine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (686)
1188

>  <Formula> (686)
C14H24N2O3

>  <MolWeight> (686)
268.35196

>  <Item Name> (686)
Ciclopirox ethanolamine

>  <Catalog Number> (686)
S3019 

>  <Synonyms> (686)
N/A

>  <Target> (686)
ATPase

>  <Form> (686)
Ethanolamine

>  <URL> (686)
http://www.selleckchem.com/products/ciclopirox-ethanolamine.html

>  <CAS Number> (686)
41621-49-2

$$$$
Rimonabant.cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (687)
1190

>  <Formula> (687)
C22H21Cl3N4O

>  <MolWeight> (687)
463.78734

>  <Item Name> (687)
Rimonabant (SR141716)

>  <Catalog Number> (687)
S3021 

>  <Synonyms> (687)
N/A 

>  <Target> (687)
Cannabinoid Receptor 

>  <Form> (687)
Free Base

>  <URL> (687)
http://www.selleckchem.com/products/rimonabant-sr141716.html

>  <CAS Number> (687)
168273-06-1

$$$$
Cabazitaxel.cdx
csChFnd80/07171813022D

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Lamotrigine.cdx
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84057-84-1

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>  <Synonyms> (692)
N/A 

>  <Target> (692)
Transferase

>  <Form> (692)
Free Base

>  <URL> (692)
http://www.selleckchem.com/products/lonafarnib-sch66336.html

>  <CAS Number> (692)
193275-84-2

$$$$
Bindarit.cdx
csChFnd80/07171813022D

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1203

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C19H20N2O3

>  <MolWeight> (693)
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>  <Item Name> (693)
Bindarit

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S3032 

>  <Synonyms> (693)
N/A 

>  <Target> (693)
Others

>  <Form> (693)
Free Base

>  <URL> (693)
http://www.selleckchem.com/products/bindarit.html

>  <CAS Number> (693)
130641-38-2

$$$$
VN124-1£¨TOK-001£©.cdx
csChFnd80/07171813022D

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1204

>  <Formula> (694)
C26H32N2O

>  <MolWeight> (694)
388.54508

>  <Item Name> (694)
Galeterone (TOK-001)

>  <Catalog Number> (694)
S2803

>  <Synonyms> (694)
VN124-1 

>  <Target> (694)
Androgen Receptor, P450

>  <Form> (694)
Free Base

>  <URL> (694)
http://www.selleckchem.com/products/galeterone-tok-001.html

>  <CAS Number> (694)
851983-85-2

$$$$
Aminoglutethimide .cdx
csChFnd80/07171813022D

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1206

>  <Formula> (695)
C13H16N2O2

>  <MolWeight> (695)
232.27834

>  <Item Name> (695)
Aminoglutethimide (Cytadren)

>  <Catalog Number> (695)
S1672

>  <Synonyms> (695)
N/A

>  <Target> (695)
Aromatase

>  <Form> (695)
Free Base

>  <URL> (695)
http://www.selleckchem.com/products/Aminoglutethimide(Cytadren).html

>  <CAS Number> (695)
125-84-8

$$$$
VISUDYNE (verteporfin).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (696)
1207

>  <Formula> (696)
C41H42N4O8

>  <MolWeight> (696)
718.79418

>  <Item Name> (696)
Verteporfin (Visudyne)

>  <Catalog Number> (696)
S1786

>  <Synonyms> (696)
Visudyne

>  <Target> (696)
5-alpha Reductase 

>  <Form> (696)
Free Base

>  <URL> (696)
http://www.selleckchem.com/products/Verteporfin(Visudyne).html

>  <CAS Number> (696)
129497-78-5

$$$$
Atazanavir Sulfate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (697)
1208

>  <Formula> (697)
C38H54N6O11S

>  <MolWeight> (697)
802.93396

>  <Item Name> (697)
Atazanavir sulfate

>  <Catalog Number> (697)
S1457

>  <Synonyms> (697)
BMS-232632-05, Reyataz 

>  <Target> (697)
HIV Protease

>  <Form> (697)
Sulfate

>  <URL> (697)
http://www.selleckchem.com/products/Atazanavir.html

>  <CAS Number> (697)
229975-97-7

$$$$
GSK2118436.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (698)
1212

>  <Formula> (698)
C23H20F3N5O2S2

>  <MolWeight> (698)
519.5624096

>  <Item Name> (698)
Dabrafenib (GSK2118436)

>  <Catalog Number> (698)
S2807

>  <Synonyms> (698)
N/A 

>  <Target> (698)
Raf

>  <Form> (698)
Free Base

>  <URL> (698)
http://www.selleckchem.com/products/dabrafenib-gsk2118436a.html

>  <CAS Number> (698)
1195765-45-7

$$$$
BYL-719.cdx
csChFnd80/07171813022D

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 16 19  1  0  0  0  0
 15 30  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
>  <Mol_ID> (699)
1215

>  <Formula> (699)
C19H22F3N5O2S

>  <MolWeight> (699)
441.4704896

>  <Item Name> (699)
Alpelisib (BYL719)

>  <Catalog Number> (699)
S2814

>  <Synonyms> (699)
N/A 

>  <Target> (699)
PI3K

>  <Form> (699)
Free Base

>  <URL> (699)
http://www.selleckchem.com/products/byl719.html

>  <CAS Number> (699)
1217486-61-7

$$$$
vildagliptin.cdx
csChFnd80/07171813022D

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.8998    0.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2621    1.9685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    2.7310    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    1.0150    4.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9513    2.0904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2480    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8856    1.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2480    4.7076    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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  3  9  1  1  0  0  0
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 11 12  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 12 18  1  0  0  0  0
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 20 16  1  0  0  0  0
 19 21  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
>  <Mol_ID> (700)
1217

>  <Formula> (700)
C17H25N3O2

>  <MolWeight> (700)
303.3993

>  <Item Name> (700)
Vildagliptin (LAF-237)

>  <Catalog Number> (700)
S3033

>  <Synonyms> (700)
Galvus 

>  <Target> (700)
DPP-4

>  <Form> (700)
Free Base

>  <URL> (700)
http://www.selleckchem.com/products/vildagliptin-laf-237.html

>  <CAS Number> (700)
274901-16-5

$$$$
Pravastatin sodium.cdx
csChFnd80/07171813022D

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8371    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4165    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.1976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4165    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8993    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.2024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3158    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    4.9024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.7364    6.3024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    8.6969    3.2101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  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> (701)
1220

>  <Formula> (701)
C23H35NaO7

>  <MolWeight> (701)
446.50957

>  <Item Name> (701)
Pravastatin sodium

>  <Catalog Number> (701)
S3036

>  <Synonyms> (701)
Selektine 

>  <Target> (701)
HMG-CoA Reductase

>  <Form> (701)
Free Base

>  <URL> (701)
http://www.selleckchem.com/products/pravastatin-pravachol.html

>  <CAS Number> (701)
81131-70-6

$$$$
Daunomycin HCL.cdx
csChFnd80/07171813022D

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    6.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.9292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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
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   10.3237    2.4904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
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 18 13  1  0  0  0  0
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 11 24  1  0  0  0  0
 18 25  1  1  0  0  0
 16 26  1  1  0  0  0
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 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
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 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> (702)
1221

>  <Formula> (702)
C27H30ClNO10

>  <MolWeight> (702)
563.9808

>  <Item Name> (702)
Daunorubicin HCl (Daunomycin HCl)

>  <Catalog Number> (702)
S3035

>  <Synonyms> (702)
N/A 

>  <Target> (702)
Telomerase

>  <Form> (702)
Hydrochloride

>  <URL> (702)
http://www.selleckchem.com/products/daunorubicin-hcl-daunomycin-hcl.html

>  <CAS Number> (702)
23541-50-6

$$$$
Thalidomide.cdx
csChFnd80/07171813022D

 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> (703)
1230

>  <Formula> (703)
C13H10N2O4

>  <MolWeight> (703)
258.2295

>  <Item Name> (703)
Thalidomide

>  <Catalog Number> (703)
S1193

>  <Synonyms> (703)
Thalomid 

>  <Target> (703)
E3 Ligase ,TNF-alpha

>  <Form> (703)
Free Base

>  <URL> (703)
http://www.selleckchem.com/products/Thalidomide.html

>  <CAS Number> (703)
50-35-1

$$$$
Finasteride.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (704)
1231

>  <Formula> (704)
C23H36N2O2

>  <MolWeight> (704)
372.54414

>  <Item Name> (704)
Finasteride

>  <Catalog Number> (704)
S1197

>  <Synonyms> (704)
N/A 

>  <Target> (704)
5-alpha Reductase

>  <Form> (704)
Free Base

>  <URL> (704)
http://www.selleckchem.com/products/Finasteride.html

>  <CAS Number> (704)
98319-26-7

$$$$
Bisoprolol Fumarate.cdx
csChFnd80/07171813022D

 31 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (705)
1232

>  <Formula> (705)
C22H35NO8

>  <MolWeight> (705)
441.5152

>  <Item Name> (705)
Bisoprolol fumarate

>  <Catalog Number> (705)
S1206

>  <Synonyms> (705)
EMD33512

>  <Target> (705)
Adrenergic Receptor

>  <Form> (705)
fumarate

>  <URL> (705)
http://www.selleckchem.com/products/Bisoprolol-Fumarate.html

>  <CAS Number> (705)
104344-23-2

$$$$
Dacarbazine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (706)
1233

>  <Formula> (706)
C6H10N6O

>  <MolWeight> (706)
182.1832

>  <Item Name> (706)
Dacarbazine (DTIC-Dome)

>  <Catalog Number> (706)
S1221

>  <Synonyms> (706)
DTIC 

>  <Target> (706)
DNA/RNA Synthesis

>  <Form> (706)
Free Base

>  <URL> (706)
http://www.selleckchem.com/products/Dacarbazine.html

>  <CAS Number> (706)
4342-03-4

$$$$
Entecavir hydrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (707)
1234

>  <Formula> (707)
C12H17N5O4

>  <MolWeight> (707)
295.29448

>  <Item Name> (707)
Entecavir hydrate

>  <Catalog Number> (707)
S1252

>  <Synonyms> (707)
Baraclude 

>  <Target> (707)
Reverse Transcriptase

>  <Form> (707)
Hydrate

>  <URL> (707)
http://www.selleckchem.com/products/Entecavir.html

>  <CAS Number> (707)
209216-23-9

$$$$
Leucovorin Calcium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (708)
1235

>  <Formula> (708)
C20H31CaN7O12

>  <MolWeight> (708)
601.57784

>  <Item Name> (708)
Leucovorin Calcium Pentahydrate

>  <Catalog Number> (708)
S1236

>  <Synonyms> (708)
Calcium, Calcium Folinatc, Citrovorum Factor 

>  <Target> (708)
Others

>  <Form> (708)
Hydrate

>  <URL> (708)
http://www.selleckchem.com/products/Leucovorin-Calcium.html

>  <CAS Number> (708)
6035-45-6

$$$$
Rufinamide.cdx
csChFnd80/07171813022D

 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
  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  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
 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> (709)
1236

>  <Formula> (709)
C10H8F2N4O

>  <MolWeight> (709)
238.1935264

>  <Item Name> (709)
Rufinamide (Banzel)

>  <Catalog Number> (709)
S1256

>  <Synonyms> (709)
Banzel 

>  <Target> (709)
Sodium Channel

>  <Form> (709)
Free Base

>  <URL> (709)
http://www.selleckchem.com/products/Rufinamide.html

>  <CAS Number> (709)
106308-44-5

$$$$
Acarbose.cdx
csChFnd80/07171813022D

 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
    2.4207    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    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
    8.4702    3.4951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8413    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5879    0.0000 C   0  0  1  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
    3.6331    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    7.6879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2082    6.2879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207    9.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0000    0.0000 O   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
    7.2620    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (710)
1237

>  <Formula> (710)
C25H43NO18

>  <MolWeight> (710)
645.60482

>  <Item Name> (710)
Acarbose

>  <Catalog Number> (710)
S1271

>  <Synonyms> (710)
Prandase, Precose, Glucobay, Bay-g 5421 

>  <Target> (710)
Others

>  <Form> (710)
Free Base

>  <URL> (710)
http://www.selleckchem.com/products/Acarbose.html

>  <CAS Number> (710)
56180-94-0

$$$$
ALPHACAINE (lidocaine).cdx
csChFnd80/07171813022D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   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
    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
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (711)
1238

>  <Formula> (711)
C14H22N2O

>  <MolWeight> (711)
234.33728

>  <Item Name> (711)
Lidocaine (Alphacaine)

>  <Catalog Number> (711)
S1357

>  <Synonyms> (711)
Alphacaine, Xylocaine, lignocaine

>  <Target> (711)
Histamine Receptor

>  <Form> (711)
Free Base

>  <URL> (711)
http://www.selleckchem.com/products/Lidocaine.html

>  <CAS Number> (711)
137-58-6

$$$$

csChFnd80/07171813022D

 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> (712)
1239

>  <Formula> (712)
C19H24BrNO5S2

>  <MolWeight> (712)
490.43156

>  <Item Name> (712)
Tiotropium Bromide hydrate

>  <Catalog Number> (712)
S2547

>  <Synonyms> (712)
N/A 

>  <Target> (712)
AChR

>  <Form> (712)
quaternary-N bromide salt&hydr

>  <URL> (712)
http://www.selleckchem.com/products/Tiotropium-Bromide-hydrate.html

>  <CAS Number> (712)
139404-48-1

$$$$
Tioxolone.cdx
csChFnd80/07171813022D

 11 12  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    0.2674    0.0000 S   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 O   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
    7.1826    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
  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
  1 10  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (713)
1240

>  <Formula> (713)
C7H4O3S

>  <MolWeight> (713)
168.16986

>  <Item Name> (713)
Tioxolone

>  <Catalog Number> (713)
S2603

>  <Synonyms> (713)
N/A 

>  <Target> (713)
Carbonic Anhydrase

>  <Form> (713)
Free Base

>  <URL> (713)
http://www.selleckchem.com/products/tioxolone.html

>  <CAS Number> (713)
4991-65-5

$$$$
Betaxolol hydrochloride.cdx
csChFnd80/07171813022D

 23 23  0  0  0  0  0  0  0  0999 V2000
    7.5076    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6076    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    4.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076    4.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0027    3.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7003    2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1003    2.5417    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.7979    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    3.7499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8954    4.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2906    4.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    6.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7979    1.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    4.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5236    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 12 14  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 20  1  0  0  0  0
M  END
>  <Mol_ID> (714)
1244

>  <Formula> (714)
C18H30ClNO3

>  <MolWeight> (714)
343.8887

>  <Item Name> (714)
Betaxolol hydrochloride (Betoptic)

>  <Catalog Number> (714)
S1827

>  <Synonyms> (714)
Lokren ,Kerlone 

>  <Target> (714)
Adrenergic Receptor

>  <Form> (714)
Hydrochloride

>  <URL> (714)
http://www.selleckchem.com/products/betaxolol-hydrochloride-betoptic.html

>  <CAS Number> (714)
63659-19-8

$$$$
Sodium salicylate.cdx
csChFnd80/07171813022D

 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> (715)
1245

>  <Formula> (715)
C7H6NaO3

>  <MolWeight> (715)
161.11051

>  <Item Name> (715)
Sodium salicylate

>  <Catalog Number> (715)
S3137

>  <Synonyms> (715)
N/A 

>  <Target> (715)
NF-¦ÊB

>  <Form> (715)
sodium salt

>  <URL> (715)
http://www.selleckchem.com/products/sodium-salicylate.html

>  <CAS Number> (715)
54-21-7

$$$$
Sulfamerazine.cdx
csChFnd80/07171813022D

 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> (716)
1246

>  <Formula> (716)
C11H12N4O2S

>  <MolWeight> (716)
264.30358

>  <Item Name> (716)
Sulfamerazine

>  <Catalog Number> (716)
S3132

>  <Synonyms> (716)
N/A 

>  <Target> (716)
Antifection

>  <Form> (716)
Free Base

>  <URL> (716)
http://www.selleckchem.com/products/sulfamerazine.html

>  <CAS Number> (716)
127-79-7

$$$$
Sulfamethazine.cdx
csChFnd80/07171813022D

 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> (717)
1247

>  <Formula> (717)
C12H14N4O2S

>  <MolWeight> (717)
278.33016

>  <Item Name> (717)
Sulfamethazine

>  <Catalog Number> (717)
S3133

>  <Synonyms> (717)
N/A 

>  <Target> (717)
Antifection

>  <Form> (717)
Free Base

>  <URL> (717)
http://www.selleckchem.com/products/sulfamethazine.html

>  <CAS Number> (717)
57-68-1

$$$$
Trimethoprim.cdx
csChFnd80/07171813022D

 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> (718)
1250

>  <Formula> (718)
C14H18N4O3

>  <MolWeight> (718)
290.31772

>  <Item Name> (718)
Trimethoprim

>  <Catalog Number> (718)
S3129

>  <Synonyms> (718)
N/A 

>  <Target> (718)
Antifection

>  <Form> (718)
Free Base

>  <URL> (718)
http://www.selleckchem.com/products/trimethoprim.html

>  <CAS Number> (718)
738-70-5

$$$$
Entacapone.cdx
csChFnd80/07171813022D

 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> (719)
1251

>  <Formula> (719)
C14H15N3O5

>  <MolWeight> (719)
305.286

>  <Item Name> (719)
Entacapone

>  <Catalog Number> (719)
S3147 

>  <Synonyms> (719)
N/A 

>  <Target> (719)
Histone Methyltransferase

>  <Form> (719)
Free Base

>  <URL> (719)
http://www.selleckchem.com/products/entacapone.html

>  <CAS Number> (719)
130929-57-6

$$$$
Ibandronate sodium.cdx
csChFnd80/07171813022D

 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
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M  END
>  <Mol_ID> (720)
1252

>  <Formula> (720)
C9H25NNaO8P2

>  <MolWeight> (720)
360.233992

>  <Item Name> (720)
Ibandronate sodium

>  <Catalog Number> (720)
S3148

>  <Synonyms> (720)
N/A 

>  <Target> (720)
Others

>  <Form> (720)
Sodium

>  <URL> (720)
http://www.selleckchem.com/products/ibandronate-sodium.html

>  <CAS Number> (720)
138926-19-9

$$$$
Estradiol Valerate.cdx
csChFnd80/07171813022D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (721)
1253

>  <Formula> (721)
C23H32O3

>  <MolWeight> (721)
356.49838

>  <Item Name> (721)
Estradiol valerate

>  <Catalog Number> (721)
S3149

>  <Synonyms> (721)
N/A 

>  <Target> (721)
Estrogen/progestogen Receptor

>  <Form> (721)
Free Base

>  <URL> (721)
http://www.selleckchem.com/products/estradiol-valerate.html

>  <CAS Number> (721)
979-32-8

$$$$
Articaine hydrochloride.cdx
csChFnd80/07171813022D

 20 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (722)
1254

>  <Formula> (722)
C13H21ClN2O3S

>  <MolWeight> (722)
320.83544

>  <Item Name> (722)
Articaine HCl

>  <Catalog Number> (722)
S3150

>  <Synonyms> (722)
N/A 

>  <Target> (722)
Others

>  <Form> (722)
Hydrochloride

>  <URL> (722)
http://www.selleckchem.com/products/articaine-hydrochloride.html

>  <CAS Number> (722)
23964-57-0

$$$$
Gliquidone.cdx
csChFnd80/07171813022D

 37 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (723)
1255

>  <Formula> (723)
C27H33N3O6S

>  <MolWeight> (723)
527.63242

>  <Item Name> (723)
Gliquidone

>  <Catalog Number> (723)
S3151

>  <Synonyms> (723)
Glurenorm 

>  <Target> (723)
Potassium Channel

>  <Form> (723)
Free Base

>  <URL> (723)
http://www.selleckchem.com/products/gliquidone.html

>  <CAS Number> (723)
33342-05-1

$$$$
Butenafine Hydrochloride.cdx
csChFnd80/07171813022D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (724)
1256

>  <Formula> (724)
C23H28ClN

>  <MolWeight> (724)
353.92812

>  <Item Name> (724)
Butenafine HCl

>  <Catalog Number> (724)
S3154

>  <Synonyms> (724)
N/A 

>  <Target> (724)
Antifection

>  <Form> (724)
HCl

>  <URL> (724)
http://www.selleckchem.com/products/butenafine-hydrochloride.html

>  <CAS Number> (724)
101827-46-7

$$$$
Mepivacaine hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (725)
1257

>  <Formula> (725)
C15H23ClN2O

>  <MolWeight> (725)
282.80892

>  <Item Name> (725)
Mepivacaine HCl

>  <Catalog Number> (725)
S3155

>  <Synonyms> (725)
N/A 

>  <Target> (725)
Sodium Channel

>  <Form> (725)
HCl

>  <URL> (725)
http://www.selleckchem.com/products/mepivacaine-hydrochloride.html

>  <CAS Number> (725)
1722-62-9

$$$$
Tylosin tartrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (726)
1258

>  <Formula> (726)
C50H83NO23

>  <MolWeight> (726)
1066.18692

>  <Item Name> (726)
Tylosin tartrate

>  <Catalog Number> (726)
S3162

>  <Synonyms> (726)
N/A 

>  <Target> (726)
Antifection

>  <Form> (726)
Tartrate

>  <URL> (726)
http://www.selleckchem.com/products/tylosin-tartrate.html

>  <CAS Number> (726)
74610-55-2

$$$$
Benztropine mesylate.cdx
csChFnd80/07171813022D

 28 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (727)
1259

>  <Formula> (727)
C22H29NO4S

>  <MolWeight> (727)
403.53496

>  <Item Name> (727)
Benztropine mesylate

>  <Catalog Number> (727)
S3163

>  <Synonyms> (727)
N/A 

>  <Target> (727)
Histamine Receptor

>  <Form> (727)
Mesylate

>  <URL> (727)
http://www.selleckchem.com/products/benztropine-mesylate.html

>  <CAS Number> (727)
132-17-2

$$$$
L-Arginine hydrochloride.cdx
csChFnd80/07171813022D

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    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> (728)
1260

>  <Formula> (728)
C6H15ClN4O2

>  <MolWeight> (728)
210.6619

>  <Item Name> (728)
L-Arginine HCl

>  <Catalog Number> (728)
S3174

>  <Synonyms> (728)
N/A 

>  <Target> (728)
NOS

>  <Form> (728)
HCl

>  <URL> (728)
http://www.selleckchem.com/products/l-Arginine-hydrochloride.html

>  <CAS Number> (728)
1119-34-2

$$$$
Betahistine dihydrochloride.cdx
csChFnd80/07171813022D

 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> (729)
1261

>  <Formula> (729)
C8H14Cl2N2

>  <MolWeight> (729)
209.11616

>  <Item Name> (729)
Betahistine 2HCl

>  <Catalog Number> (729)
S3176

>  <Synonyms> (729)
N/A 

>  <Target> (729)
Histamine Receptor

>  <Form> (729)
2HCl

>  <URL> (729)
http://www.selleckchem.com/products/betahistine-dihydrochloride.html

>  <CAS Number> (729)
5579-84-0

$$$$
Brinzolamide.cdx
csChFnd80/07171813022D

 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> (730)
1262

>  <Formula> (730)
C12H21N3O5S3

>  <MolWeight> (730)
383.50724

>  <Item Name> (730)
Brinzolamide

>  <Catalog Number> (730)
S3178

>  <Synonyms> (730)
Azopt 

>  <Target> (730)
Carbonic Anhydrase

>  <Form> (730)
Free Base

>  <URL> (730)
http://www.selleckchem.com/products/brinzolamide.html

>  <CAS Number> (730)
138890-62-7

$$$$
Carbenicillin disodium.cdx
csChFnd80/07171813022D

 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> (731)
1263

>  <Formula> (731)
C17H16N2Na2O6S

>  <MolWeight> (731)
422.36328

>  <Item Name> (731)
Carbenicillin disodium

>  <Catalog Number> (731)
S3179

>  <Synonyms> (731)
N/A 

>  <Target> (731)
Antifection

>  <Form> (731)
Disodium

>  <URL> (731)
http://www.selleckchem.com/products/carbenicillin-disodium.html

>  <CAS Number> (731)
4800-94-6

$$$$
Eletriptan hydrobromide.cdx
csChFnd80/07171813022D

 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> (732)
1264

>  <Formula> (732)
C22H27BrN2O2S

>  <MolWeight> (732)
463.43098

>  <Item Name> (732)
Eletriptan HBr

>  <Catalog Number> (732)
S3180

>  <Synonyms> (732)
N/A 

>  <Target> (732)
5-HT Receptor

>  <Form> (732)
HBr

>  <URL> (732)
http://www.selleckchem.com/products/eletriptan-hydrobromide.html

>  <CAS Number> (732)
177834-92-3

$$$$
Flumequine.cdx
csChFnd80/07171813022D

 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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  1 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  9 13  1  0  0  0  0
  1 11  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  3 14  1  0  0  0  0
  2 17  2  0  0  0  0
  6 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
>  <Mol_ID> (733)
1265

>  <Formula> (733)
C14H12FNO3

>  <MolWeight> (733)
261.2483832

>  <Item Name> (733)
Flumequine

>  <Catalog Number> (733)
S3181

>  <Synonyms> (733)
N/A 

>  <Target> (733)
Topoisomerase

>  <Form> (733)
Free Base

>  <URL> (733)
http://www.selleckchem.com/products/flumequine.html

>  <CAS Number> (733)
42835-25-6

$$$$
Ticarcillin sodium.cdx
csChFnd80/07171813022D

 27 27  0  0  0  0  0  0  0  0999 V2000
   13.8741    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5047    2.3861    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.3583    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6373    4.3479    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5741    3.3075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   15.0865    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
  6 14  1  0  0  0  0
M  END
>  <Mol_ID> (734)
1266

>  <Formula> (734)
C15H16N2Na2O6S2

>  <MolWeight> (734)
430.40688

>  <Item Name> (734)
Ticarcillin sodium

>  <Catalog Number> (734)
S3193

>  <Synonyms> (734)
N/A 

>  <Target> (734)
Others

>  <Form> (734)
Sodium

>  <URL> (734)
http://www.selleckchem.com/products/ticarcillin-sodium.html

>  <CAS Number> (734)
29457-07-6

$$$$
Azlocillin sodium salt.cdx
csChFnd80/07171813022D

 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
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    3.4821    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6651    0.0000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 11 12  1  0  0  0  0
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  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
M  END
>  <Mol_ID> (735)
1267

>  <Formula> (735)
C20H23N5NaO6S

>  <MolWeight> (735)
484.48129

>  <Item Name> (735)
Azlocillin sodium salt

>  <Catalog Number> (735)
S3195

>  <Synonyms> (735)
N/A 

>  <Target> (735)
Antifection

>  <Form> (735)
Sodium Salt

>  <URL> (735)
http://www.selleckchem.com/products/azlocillin-sodium-salt.html

>  <CAS Number> (735)
37091-65-9

$$$$
Trifluoperazine dihydrochloride.cdx
csChFnd80/07171813022D

 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
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   21.2629    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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 15 18  1  0  0  0  0
  2 15  1  0  0  0  0
 19 20  1  0  0  0  0
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 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> (736)
1268

>  <Formula> (736)
C21H26Cl2F3N3S

>  <MolWeight> (736)
480.4174496

>  <Item Name> (736)
Trifluoperazine 2HCl

>  <Catalog Number> (736)
S3201

>  <Synonyms> (736)
 N/A 

>  <Target> (736)
Dopamine Receptor

>  <Form> (736)
Dihydrochlorid

>  <URL> (736)
http://www.selleckchem.com/products/trifluoperazine-dihydrochloride.html

>  <CAS Number> (736)
440-17-5

$$$$
Meptazinol hydrochloride.cdx
csChFnd80/07171813022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9900    3.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3171    3.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3071    2.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8756    1.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5295    0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1126    3.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0180    2.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    2.9245    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0457    4.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6531    5.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8656    0.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  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
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 15 16  1  0  0  0  0
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  3  9  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
>  <Mol_ID> (737)
1269

>  <Formula> (737)
C15H24ClNO

>  <MolWeight> (737)
269.81016

>  <Item Name> (737)
Meptazinol HCl

>  <Catalog Number> (737)
S3204

>  <Synonyms> (737)
N/A 

>  <Target> (737)
Opioid Receptor

>  <Form> (737)
HCl

>  <URL> (737)
http://www.selleckchem.com/products/meptazinol-hydrochloride.html

>  <CAS Number> (737)
59263-76-2

$$$$
Adrenalone hydrochloride.cdx
csChFnd80/07171813022D

 14 13  0  0  0  0  0  0  0  0999 V2000
    6.3000    1.3054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.7302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.9427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5380    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  9 10  1  0  0  0  0
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 11 13  1  0  0  0  0
  6 13  2  0  0  0  0
M  END
>  <Mol_ID> (738)
1270

>  <Formula> (738)
C9H12ClNO3

>  <MolWeight> (738)
217.64948

>  <Item Name> (738)
Adrenalone HCl

>  <Catalog Number> (738)
S3185

>  <Synonyms> (738)
N/A 

>  <Target> (738)
Adrenergic Receptor

>  <Form> (738)
hydrochloride

>  <URL> (738)
http://www.selleckchem.com/products/adrenalone-hcl.html

>  <CAS Number> (738)
62-13-5

$$$$
Azacyclonol.cdx
csChFnd80/07171813022D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
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1271

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C18H21NO

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Azacyclonol

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S3196

>  <Synonyms> (739)
N/A 

>  <Target> (739)
5-HT Receptor

>  <Form> (739)
Free Base

>  <URL> (739)
http://www.selleckchem.com/products/azacyclonol.html

>  <CAS Number> (739)
115-46-8

$$$$
Reboxetine mesylate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (740)
1272

>  <Formula> (740)
C20H27NO6S

>  <MolWeight> (740)
409.49648

>  <Item Name> (740)
Reboxetine mesylate

>  <Catalog Number> (740)
S3199 

>  <Synonyms> (740)
N/A 

>  <Target> (740)
Others

>  <Form> (740)
Mesylate

>  <URL> (740)
http://www.selleckchem.com/products/reboxetine-mesylate.html

>  <CAS Number> (740)
98769-84-7

$$$$
Triflusal.cdx
csChFnd80/07171813022D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (741)
1273

>  <Formula> (741)
C10H7F3O4

>  <MolWeight> (741)
248.1553896

>  <Item Name> (741)
Triflusal

>  <Catalog Number> (741)
S3200

>  <Synonyms> (741)
N/A 

>  <Target> (741)
COX

>  <Form> (741)
Free Base

>  <URL> (741)
http://www.selleckchem.com/products/triflusal.html

>  <CAS Number> (741)
322-79-2

$$$$
Varlitinib(ARRY-334543).cdx
csChFnd80/07171813022D

 32 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (742)
1277

>  <Formula> (742)
C22H19ClN6O2S

>  <MolWeight> (742)
466.94326

>  <Item Name> (742)
Varlitinib

>  <Catalog Number> (742)
S2755

>  <Synonyms> (742)
ARRY334543

>  <Target> (742)
EGFR

>  <Form> (742)
Free Base

>  <URL> (742)
http://www.selleckchem.com/products/arry334543.html

>  <CAS Number> (742)
845272-21-1

$$$$
Xylazine HCl.cdx
csChFnd80/07171813022D

 16 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (743)
1278

>  <Formula> (743)
C12H17ClN2S

>  <MolWeight> (743)
256.79478

>  <Item Name> (743)
Xylazine HCl

>  <Catalog Number> (743)
S2516

>  <Synonyms> (743)
N/A 

>  <Target> (743)
Adrenergic Receptor

>  <Form> (743)
Hydrochloride

>  <URL> (743)
http://www.selleckchem.com/products/Xylazine(Rompun).html

>  <CAS Number> (743)
23076-35-9

$$$$
Fexofenadine HCl.cdx
csChFnd80/07171813022D

 38 40  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (744)
1280

>  <Formula> (744)
C32H40ClNO4

>  <MolWeight> (744)
538.1173

>  <Item Name> (744)
Fexofenadine HCl

>  <Catalog Number> (744)
S3208

>  <Synonyms> (744)
N/A 

>  <Target> (744)
Histamine Receptor

>  <Form> (744)
hydrochloride

>  <URL> (744)
http://www.selleckchem.com/products/fexofenadine-hcl.html

>  <CAS Number> (744)
153439-40-8

$$$$
Thiamine hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (745)
1282

>  <Formula> (745)
C12H18Cl2N4OS

>  <MolWeight> (745)
337.26852

>  <Item Name> (745)
Thiamine HCl (Vitamin B1)

>  <Catalog Number> (745)
S3211

>  <Synonyms> (745)
N/A

>  <Target> (745)
Vitamin

>  <Form> (745)
Hydrochloride

>  <URL> (745)
http://www.selleckchem.com/products/thiamine-hcl-vitamin-b1.html

>  <CAS Number> (745)
67-03-8

$$$$
Moclobemide.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (746)
1283

>  <Formula> (746)
C13H17ClN2O2

>  <MolWeight> (746)
268.73928

>  <Item Name> (746)
Moclobemide (Ro 111163)

>  <Catalog Number> (746)
S3212

>  <Synonyms> (746)
N/A 

>  <Target> (746)
MAO

>  <Form> (746)
Free Base

>  <URL> (746)
http://www.selleckchem.com/products/moclobemide.html

>  <CAS Number> (746)
71320-77-9

$$$$
Tideglusib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (747)
1284

>  <Formula> (747)
C19H14N2O2S

>  <MolWeight> (747)
334.39166

>  <Item Name> (747)
Tideglusib

>  <Catalog Number> (747)
S2823

>  <Synonyms> (747)
N/A 

>  <Target> (747)
GSK-3

>  <Form> (747)
Free Base

>  <URL> (747)
http://www.selleckchem.com/products/tideglusib.html

>  <CAS Number> (747)
865854-05-3 

$$$$
Ascorbic acid.cdx
csChFnd80/07171813022D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (748)
1286

>  <Formula> (748)
C6H8O6

>  <MolWeight> (748)
176.12412

>  <Item Name> (748)
Vitamin C (Ascorbic acid)

>  <Catalog Number> (748)
S3114

>  <Synonyms> (748)
N/A 

>  <Target> (748)
Vitamin

>  <Form> (748)
Free Base

>  <URL> (748)
http://www.selleckchem.com/products/vitamin-c-ascorbic-acid.html

>  <CAS Number> (748)
50-81-7

$$$$
Sulfathiazole.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (749)
1287

>  <Formula> (749)
C9H9N3O2S2

>  <MolWeight> (749)
255.31666

>  <Item Name> (749)
Sulfathiazole

>  <Catalog Number> (749)
S3116

>  <Synonyms> (749)
N/A 

>  <Target> (749)
Antifection

>  <Form> (749)
Free Base

>  <URL> (749)
http://www.selleckchem.com/products/sulfathiazole.html

>  <CAS Number> (749)
72-14-0

$$$$
carfilzomib(PR-171).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (750)
1288

>  <Formula> (750)
C40H57N5O7

>  <MolWeight> (750)
719.90988

>  <Item Name> (750)
Carfilzomib (PR-171)

>  <Catalog Number> (750)
S2853

>  <Synonyms> (750)
N/A 

>  <Target> (750)
Proteasome

>  <Form> (750)
Free Base

>  <URL> (750)
http://www.selleckchem.com/products/carfilzomib-pr-171.html

>  <CAS Number> (750)
868540-17-4

$$$$
VIOXX (rofecoxib).cdx
csChFnd80/07171813022D

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M  END
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1290

>  <Formula> (751)
C17H14O4S

>  <MolWeight> (751)
314.35566

>  <Item Name> (751)
Rofecoxib (Vioxx)

>  <Catalog Number> (751)
S3043

>  <Synonyms> (751)
N/A 

>  <Target> (751)
COX

>  <Form> (751)
Free Base

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

>  <CAS Number> (751)
N/A 

$$$$
Azilsartan.cdx
csChFnd80/07171813022D

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1291

>  <Formula> (752)
C25H20N4O5

>  <MolWeight> (752)
456.4501

>  <Item Name> (752)
Azilsartan (TAK-536)

>  <Catalog Number> (752)
S3046

>  <Synonyms> (752)
N/A 

>  <Target> (752)
RAAS

>  <Form> (752)
Free Base

>  <URL> (752)
http://www.selleckchem.com/products/azilsartan-tak-536.html

>  <CAS Number> (752)
147403-03-0

$$$$
Cinepazide maleate.cdx
csChFnd80/07171813022D

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    2.0694    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    5.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8897    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1022    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8897    0.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    2.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1022    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5186    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
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 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
  7 16  2  0  0  0  0
 17 18  1  0  0  0  0
 14 17  1  0  0  0  0
 19 20  1  0  0  0  0
 13 19  1  0  0  0  0
 21 22  1  0  0  0  0
 12 21  1  0  0  0  0
  4  7  1  0  0  0  0
 24 25  2  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
 26 30  1  0  0  0  0
 24 26  1  0  0  0  0
 23 24  1  0  0  0  0
  1 23  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 31 35  1  0  0  0  0
 31 36  2  0  0  0  0
 34 37  1  0  0  0  0
 34 38  2  0  0  0  0
M  END
>  <Mol_ID> (753)
1292

>  <Formula> (753)
C26H35N3O9

>  <MolWeight> (753)
533.5708

>  <Item Name> (753)
Cinepazide maleate

>  <Catalog Number> (753)
S3045

>  <Synonyms> (753)
N/A 

>  <Target> (753)
Calcium Channel

>  <Form> (753)
Maleate

>  <URL> (753)
http://www.selleckchem.com/products/cinepazide-maleate.html

>  <CAS Number> (753)
26328-04-1

$$$$
Otilonium Bromide.cdx
csChFnd80/07171813022D

 36 36  0  0  0  0  0  0  0  0999 V2000
   20.6114    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   19.3990    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.0124    0.0000 O   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    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.3124    0.0000 C   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
    3.6373    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
    1.2124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5238    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9238    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4715    0.8501    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
  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
  6 11  2  0  0  0  0
  5 12  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 21  2  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 30  1  0  0  0  0
 22 23  1  0  0  0  0
 16 22  1  0  0  0  0
 13 14  1  0  0  0  0
  9 13  1  0  0  0  0
  4  5  1  0  0  0  0
  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
 32 33  1  0  0  0  0
  3 32  1  0  0  0  0
 34 35  1  0  0  0  0
  3 34  1  0  0  0  0
M  END
>  <Mol_ID> (754)
1301

>  <Formula> (754)
C29H43BrN2O4

>  <MolWeight> (754)
563.56672

>  <Item Name> (754)
Otilonium Bromide

>  <Catalog Number> (754)
S3047

>  <Synonyms> (754)
N/A

>  <Target> (754)
AChR

>  <Form> (754)
quaternary-N bromide salt

>  <URL> (754)
http://www.selleckchem.com/products/otilonium-bromide.html

>  <CAS Number> (754)
26095-59-0

$$$$
Palonosetron HCl.cdx
csChFnd80/07171813022D

 25 28  0  0  0  0  0  0  0  0999 V2000
    4.1996    5.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8996    3.8382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    2.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    2.6256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1005    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999    6.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0998    6.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7998    5.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0992    1.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997    6.2632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6875    4.2591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6150    3.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2994    3.8382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0804    5.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0777    6.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9764    6.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4444    5.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288    6.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5005    1.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0563    2.4593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 13  1  0  0  0  0
  6 11  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 17  2  1  1  0  0  0
  4 23  1  6  0  0  0
 17 24  1  6  0  0  0
M  END
>  <Mol_ID> (755)
1302

>  <Formula> (755)
C19H25ClN2O

>  <MolWeight> (755)
332.8676

>  <Item Name> (755)
Palonosetron HCl

>  <Catalog Number> (755)
S3050

>  <Synonyms> (755)
N/A 

>  <Target> (755)
5-HT Receptor

>  <Form> (755)
HCL

>  <URL> (755)
http://www.selleckchem.com/products/palonosetron-hcl.html

>  <CAS Number> (755)
135729-62-3

$$$$
Bosentan hydrate.cdx
csChFnd80/07171813022D

 40 42  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5436    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    4.7561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    7.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.1312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9934    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  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
 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
 11 17  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 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 23 24  1  0  0  0  0
 30 31  1  0  0  0  0
 25 30  1  0  0  0  0
 14 23  1  0  0  0  0
 33 34  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 15 32  1  0  0  0  0
 10 13  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
  4 36  1  0  0  0  0
M  END
>  <Mol_ID> (756)
1309

>  <Formula> (756)
C27H31N5O7S

>  <MolWeight> (756)
569.62934

>  <Item Name> (756)
Bosentan Hydrate

>  <Catalog Number> (756)
S3051

>  <Synonyms> (756)
N/A

>  <Target> (756)
ETA Receptor

>  <Form> (756)
Hydrate

>  <URL> (756)
http://www.selleckchem.com/products/bosentan-hydrate.html

>  <CAS Number> (756)
157212-55-0

$$$$
Alverine citrate.cdx
csChFnd80/07171813022D

 34 34  0  0  0  0  0  0  0  0999 V2000
   10.9119    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (757)
1312

>  <Formula> (757)
C26H35NO7

>  <MolWeight> (757)
473.5586

>  <Item Name> (757)
Alverine Citrate

>  <Catalog Number> (757)
S3054

>  <Synonyms> (757)
N/A

>  <Target> (757)
OX Receptor

>  <Form> (757)
Citrate

>  <URL> (757)
http://www.selleckchem.com/products/alverine-citrate.html

>  <CAS Number> (757)
5560-59-8

$$$$
Azelnidipine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (758)
1313

>  <Formula> (758)
C33H34N4O6

>  <MolWeight> (758)
582.64626

>  <Item Name> (758)
Azelnidipine

>  <Catalog Number> (758)
S3053

>  <Synonyms> (758)
N/A

>  <Target> (758)
Calcium Channel

>  <Form> (758)
Free Base

>  <URL> (758)
http://www.selleckchem.com/products/azelnidipine.html

>  <CAS Number> (758)
123524-52-7

$$$$
Solifenacin succinate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (759)
1314

>  <Formula> (759)
C27H32N2O6

>  <MolWeight> (759)
480.55278

>  <Item Name> (759)
Solifenacin succinate

>  <Catalog Number> (759)
S3048

>  <Synonyms> (759)
N/A

>  <Target> (759)
AChR

>  <Form> (759)
Succinate

>  <URL> (759)
http://www.selleckchem.com/products/solifenacin-succinate.html

>  <CAS Number> (759)
242478-38-2

$$$$
Besifloxacin HCl.cdx
csChFnd80/07171813022D

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 17 15  1  0  0  0  0
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 26 20  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  1  0  0  0
M  END
>  <Mol_ID> (760)
1315

>  <Formula> (760)
C19H22Cl2FN3O3

>  <MolWeight> (760)
430.3006832

>  <Item Name> (760)
Besifloxacin HCl (Besivance)

>  <Catalog Number> (760)
S3055

>  <Synonyms> (760)
N/A

>  <Target> (760)
Others

>  <Form> (760)
Hydrochloride

>  <URL> (760)
http://www.selleckchem.com/products/besifloxacin-hci.html

>  <CAS Number> (760)
405165-61-9

$$$$
Chlorhexidine Hydrochloride.cdx
csChFnd80/07171813022D

 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
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   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
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  7  8  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 31 34  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
>  <Mol_ID> (761)
1317

>  <Formula> (761)
C22H32Cl4N10

>  <MolWeight> (761)
578.36848

>  <Item Name> (761)
Chlorhexidine HCl

>  <Catalog Number> (761)
S3067

>  <Synonyms> (761)
N/A

>  <Target> (761)
Antifection

>  <Form> (761)
Dihydrochlorid

>  <URL> (761)
http://www.selleckchem.com/products/chlorhexidine-hcl.html

>  <CAS Number> (761)
3697-42-5

$$$$
Diclofenac Diethylamine.cdx
csChFnd80/07171813022D

 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
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    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
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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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  4 10  1  0  0  0  0
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 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
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 15  9  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
>  <Mol_ID> (762)
1318

>  <Formula> (762)
C18H22Cl2N2O2

>  <MolWeight> (762)
369.28548

>  <Item Name> (762)
Diclofenac Diethylamine

>  <Catalog Number> (762)
S3063

>  <Synonyms> (762)
N/A

>  <Target> (762)
COX

>  <Form> (762)
Diethylamine

>  <URL> (762)
http://www.selleckchem.com/products/diclofenac-diethylamine.html

>  <CAS Number> (762)
78213-16-8

$$$$
CATAFLAM (diclofenac potassium).cdx
csChFnd80/07171813022D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 10  5  1  0  0  0  0
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 12 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (763)
1319

>  <Formula> (763)
C14H10Cl2KNO2

>  <MolWeight> (763)
334.239

>  <Item Name> (763)
Diclofenac Potassium

>  <Catalog Number> (763)
S3062

>  <Synonyms> (763)
N/A

>  <Target> (763)
Immunology & Inflammation related

>  <Form> (763)
Potassium

>  <URL> (763)
http://www.selleckchem.com/products/diclofenac-potassium.html

>  <CAS Number> (763)
15307-81-0

$$$$
Enrofloxacin.cdx
csChFnd80/07171813022D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.6124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  2  0  0  0  0
  7 15  1  0  0  0  0
 16 17  1  0  0  0  0
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 24 26  1  0  0  0  0
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M  END
>  <Mol_ID> (764)
1320

>  <Formula> (764)
C19H22FN3O3

>  <MolWeight> (764)
359.3946832

>  <Item Name> (764)
Enrofloxacin

>  <Catalog Number> (764)
S3059

>  <Synonyms> (764)
N/A

>  <Target> (764)
Antifection

>  <Form> (764)
Free Base

>  <URL> (764)
http://www.selleckchem.com/products/enrofloxacin.html

>  <CAS Number> (764)
93106-60-6

$$$$
Epinephrine HCl.cdx
csChFnd80/07171813022D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    2.1000    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4258    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3000    3.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
  9 13  1  6  0  0  0
  4  9  1  0  0  0  0
M  END
>  <Mol_ID> (765)
1321

>  <Formula> (765)
C9H14ClNO3

>  <MolWeight> (765)
219.66536

>  <Item Name> (765)
Epinephrine HCl (Adrenaline)

>  <Catalog Number> (765)
S3061

>  <Synonyms> (765)
N/A

>  <Target> (765)
Adrenergic Receptor

>  <Form> (765)
HCl 

>  <URL> (765)
http://www.selleckchem.com/products/epinephrine-hcl-adrenaline.html

>  <CAS Number> (765)
55-31-2

$$$$
Inosine.cdx
csChFnd80/07171813022D

 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
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    4.2696    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  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> (766)
1324

>  <Formula> (766)
C10H12N4O5

>  <MolWeight> (766)
268.22608

>  <Item Name> (766)
Inosine

>  <Catalog Number> (766)
S2442

>  <Synonyms> (766)
N/A

>  <Target> (766)
Others

>  <Form> (766)
Free Base

>  <URL> (766)
http://www.selleckchem.com/products/inosine.html

>  <CAS Number> (766)
58-63-9

$$$$
Beclomethasone dipropionate.cdx
csChFnd80/07171813022D

 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
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    7.2704    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2079    1.4477    0.0000 Cl  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
   13.5180    5.3126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    6.0126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7304    7.4078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    5.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9386    3.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  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
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
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 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
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  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
 16 30  1  1  0  0  0
 10 31  1  6  0  0  0
 11 32  1  6  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 17 33  1  6  0  0  0
 14 38  1  1  0  0  0
M  END
>  <Mol_ID> (767)
1325

>  <Formula> (767)
C28H37ClO7

>  <MolWeight> (767)
521.04218

>  <Item Name> (767)
Beclomethasone dipropionate 

>  <Catalog Number> (767)
S3078

>  <Synonyms> (767)
Beclometasone dipropionate

>  <Target> (767)
Glucocorticoid Receptor

>  <Form> (767)
Free Base

>  <URL> (767)
http://www.selleckchem.com/products/beclomethasone-dipropionate.html

>  <CAS Number> (767)
5534-09-8

$$$$
Naloxone HCL.cdx
csChFnd80/07171813022D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.8000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.1341    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9000    5.3465    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2000    6.5590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8000    6.5590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.9217    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.2217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    1.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    1.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2623    1.5694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2101    5.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.5590    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  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 13 14  2  0  0  0  0
 14  1  1  0  0  0  0
 14 15  1  0  0  0  0
  7 15  1  0  0  0  0
 13 16  1  0  0  0  0
  8 17  2  0  0  0  0
  7 18  1  1  0  0  0
  2 19  1  1  0  0  0
  3 20  1  1  0  0  0
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 21 22  1  0  0  0  0
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 24 25  2  0  0  0  0
 22 19  1  0  0  0  0
M  END
>  <Mol_ID> (768)
1326

>  <Formula> (768)
C19H22ClNO4

>  <MolWeight> (768)
363.83528

>  <Item Name> (768)
Naloxone HCl

>  <Catalog Number> (768)
S3066

>  <Synonyms> (768)
N/A

>  <Target> (768)
Opioid Receptor

>  <Form> (768)
HCl

>  <URL> (768)
http://www.selleckchem.com/products/naloxone-hcl.html

>  <CAS Number> (768)
357-08-4

$$$$
Pircetam.cdx
csChFnd80/07171813022D

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    3.6222    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
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
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  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
M  END
>  <Mol_ID> (769)
1327

>  <Formula> (769)
C6H10N2O2

>  <MolWeight> (769)
142.1558

>  <Item Name> (769)
Piracetam

>  <Catalog Number> (769)
S3070

>  <Synonyms> (769)
N/A

>  <Target> (769)
GluR

>  <Form> (769)
Free Base

>  <URL> (769)
http://www.selleckchem.com/products/piracetam.html

>  <CAS Number> (769)
7491-74-9

$$$$
(R)-baclofen.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8582    2.8073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.9073    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
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  7 13  1  6  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (770)
1329

>  <Formula> (770)
C10H12ClNO2

>  <MolWeight> (770)
213.66078

>  <Item Name> (770)
(R)-baclofen

>  <Catalog Number> (770)
S3072

>  <Synonyms> (770)
N/A

>  <Target> (770)
GABA Receptor

>  <Form> (770)
Free Base

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

>  <CAS Number> (770)
69308-37-8

$$$$
Dexmedetomidine.cdx
csChFnd80/07171813022D

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.3976    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2157    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    3.4899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
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1330

>  <Formula> (771)
C13H16N2

>  <MolWeight> (771)
200.27954

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Dexmedetomidine

>  <Catalog Number> (771)
S3075

>  <Synonyms> (771)
N/A

>  <Target> (771)
Adrenergic Receptor

>  <Form> (771)
Free Base

>  <URL> (771)
http://www.selleckchem.com/products/dexmedetomidine.html

>  <CAS Number> (771)
113775-47-6

$$$$
Foscarnet Sodium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (772)
1331

>  <Formula> (772)
CNa3O5P

>  <MolWeight> (772)
191.950771

>  <Item Name> (772)
Foscarnet Sodium

>  <Catalog Number> (772)
S3076

>  <Synonyms> (772)
N/A

>  <Target> (772)
Reverse Transcriptase

>  <Form> (772)
Sodium

>  <URL> (772)
http://www.selleckchem.com/products/foscarnet-sodium.html

>  <CAS Number> (772)
63585-09-1
63585-09-1

$$$$
untitled.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (773)
1333

>  <Formula> (773)
C21H46NO4P

>  <MolWeight> (773)
407.568001

>  <Item Name> (773)
Miltefosine (Hexadecylphosphocholine)

>  <Catalog Number> (773)
S3056

>  <Synonyms> (773)
N/A

>  <Target> (773)
Akt

>  <Form> (773)
Free Base

>  <URL> (773)
http://www.selleckchem.com/products/miltefosine-hexadecylphosphocholine.html

>  <CAS Number> (773)
58066-85-6

$$$$
atovaquone (atavaquone, Mepron).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (774)
1337

>  <Formula> (774)
C22H19ClO3

>  <MolWeight> (774)
366.83746

>  <Item Name> (774)
Atovaquone (Atavaquone)

>  <Catalog Number> (774)
S3079

>  <Synonyms> (774)
N/A

>  <Target> (774)
Antifection

>  <Form> (774)
Free Base

>  <URL> (774)
http://www.selleckchem.com/products/atovaquone-atavaquone.html

>  <CAS Number> (774)
95233-18-4

$$$$
etravirine (TMC125).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (775)
1338

>  <Formula> (775)
C20H15BrN6O

>  <MolWeight> (775)
435.2767

>  <Item Name> (775)
Etravirine (TMC125)

>  <Catalog Number> (775)
S3080

>  <Synonyms> (775)
N/A

>  <Target> (775)
Reverse Transcriptase

>  <Form> (775)
Free Base

>  <URL> (775)
http://www.selleckchem.com/products/etravirine-tmc125.html

>  <CAS Number> (775)
269055-15-4

$$$$
Camostat mesilate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (776)
1341

>  <Formula> (776)
C21H26N4O8S

>  <MolWeight> (776)
494.51814

>  <Item Name> (776)
Camostat Mesilate (FOY-305)

>  <Catalog Number> (776)
S2874

>  <Synonyms> (776)
N/A

>  <Target> (776)
HCV Protease

>  <Form> (776)
Mesilate

>  <URL> (776)
http://www.selleckchem.com/products/camostat-mesilate-foy-305.html

>  <CAS Number> (776)
59721-29-8

$$$$
Rupatadine fumarate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (777)
1342

>  <Formula> (777)
C30H30ClN3O4

>  <MolWeight> (777)
532.0299

>  <Item Name> (777)
Rupatadine Fumarate

>  <Catalog Number> (777)
S3052

>  <Synonyms> (777)
N/A

>  <Target> (777)
Histamine Receptor

>  <Form> (777)
Fumarate

>  <URL> (777)
http://www.selleckchem.com/products/rupatadine-fumarate.html

>  <CAS Number> (777)
182349-12-8

$$$$
Ambroxol HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (778)
1348

>  <Formula> (778)
C13H19Br2ClN2O

>  <MolWeight> (778)
414.56376

>  <Item Name> (778)
Ambroxol HCl

>  <Catalog Number> (778)
S3064

>  <Synonyms> (778)
N/A

>  <Target> (778)
Sodium Channel

>  <Form> (778)
Hydrochloride

>  <URL> (778)
http://www.selleckchem.com/products/ambroxol-hcl.html

>  <CAS Number> (778)
23828-92-4

$$$$
Alogliptin(SYR-322).cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (779)
1352

>  <Formula> (779)
C18H21N5O2

>  <MolWeight> (779)
339.39164

>  <Item Name> (779)
Alogliptin£¨SYR-322£©

>  <Catalog Number> (779)
S2868

>  <Synonyms> (779)
N/A

>  <Target> (779)
DPP-4

>  <Form> (779)
Free Base

>  <URL> (779)
http://www.selleckchem.com/products/alogliptin-syr-322.html

>  <CAS Number> (779)
850649-61-5

$$$$
Indacaterol Maleate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (780)
1353

>  <Formula> (780)
C28H32N2O7

>  <MolWeight> (780)
508.56288

>  <Item Name> (780)
Indacaterol Maleate

>  <Catalog Number> (780)
S3083

>  <Synonyms> (780)
N/A

>  <Target> (780)
Adrenergic Receptor

>  <Form> (780)
Maleate

>  <URL> (780)
http://www.selleckchem.com/products/indacaterol-maleate.html

>  <CAS Number> (780)
753498-25-8

$$$$
Hygromycin B.cdx
csChFnd80/07171813022D

 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
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    7.3451    4.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 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> (781)
1355

>  <Formula> (781)
C20H37N3O13

>  <MolWeight> (781)
527.52008

>  <Item Name> (781)
Hygromycin B

>  <Catalog Number> (781)
S2908

>  <Synonyms> (781)
N/A

>  <Target> (781)
Antifection

>  <Form> (781)
Free Base

>  <URL> (781)
http://www.selleckchem.com/products/hygromycin-b.html

>  <CAS Number> (781)
31282-04-9

$$$$
Pirfenidone.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.1980    2.4190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8166    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1159    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1980    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3036    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    1.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109    3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0145    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9943    4.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 13  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 14  2  0  0  0  0
M  END
>  <Mol_ID> (782)
1360

>  <Formula> (782)
C12H11NO

>  <MolWeight> (782)
185.22184

>  <Item Name> (782)
Pirfenidone

>  <Catalog Number> (782)
S2907

>  <Synonyms> (782)
N/A

>  <Target> (782)
TGF-beta/Smad

>  <Form> (782)
Free Base

>  <URL> (782)
http://www.selleckchem.com/products/pirfenidone.html

>  <CAS Number> (782)
53179-13-8

$$$$
S-Ruxolitinib.cdx
csChFnd80/07171813022D

 23 26  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
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  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
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  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
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 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
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 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  6  0  0  0
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 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
M  END
>  <Mol_ID> (783)
1372

>  <Formula> (783)
C17H18N6

>  <MolWeight> (783)
306.36502

>  <Item Name> (783)
S-Ruxolitinib

>  <Catalog Number> (783)
S2902

>  <Synonyms> (783)
N/A

>  <Target> (783)
JAK

>  <Form> (783)
Free Base

>  <URL> (783)
http://www.selleckchem.com/products/s-ruxolitinib.html

>  <CAS Number> (783)
941685-37-6

$$$$
Amikacin sulfate.cdx
csChFnd80/07171813022D

 50 50  0  0  0  0  0  0  0  0999 V2000
    7.7009    9.3886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3870   10.6070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2902    9.3886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3676    8.1512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7009   11.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976   10.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5784   10.6070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5977    8.1704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6817    6.9328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3094   11.8252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0288   11.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1870   10.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9471   13.1775    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0288   12.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4589   11.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2726    9.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2254   13.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5330   14.2363    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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 20 26  1  0  0  0  0
 22 29  1  0  0  0  0
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 25 31  1  0  0  0  0
 25 32  1  6  0  0  0
 26 33  1  6  0  0  0
 27 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 37  1  1  0  0  0
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 31 36  1  0  0  0  0
 36 39  1  6  0  0  0
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 47 48  2  0  0  0  0
 47 49  2  0  0  0  0
 47 50  1  0  0  0  0
M  END
>  <Mol_ID> (784)
1375

>  <Formula> (784)
C22H47N5O21S2

>  <MolWeight> (784)
781.75948

>  <Item Name> (784)
Amikacin disulfate

>  <Catalog Number> (784)
S3065

>  <Synonyms> (784)
BB-K8

>  <Target> (784)
Antifection

>  <Form> (784)
Sulfate

>  <URL> (784)
http://www.selleckchem.com/products/amikacin-sulfate.html

>  <CAS Number> (784)
39831-55-5

$$$$
ABILIFY (aripiprazole).cdx
csChFnd80/07171813022D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3073    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1571    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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  2  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 22 17  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (785)
1378

>  <Formula> (785)
C23H27Cl2N3O2

>  <MolWeight> (785)
448.38538

>  <Item Name> (785)
Aripiprazole (Abilify)

>  <Catalog Number> (785)
S1975

>  <Synonyms> (785)
N/A

>  <Target> (785)
5-HT Receptor

>  <Form> (785)
Free Base

>  <URL> (785)
http://www.selleckchem.com/products/aripiprazole-abilify.html

>  <CAS Number> (785)
129722-12-9

$$$$
Duloxetine hydrochloride.cdx
csChFnd80/07171813022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.5660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1326    2.0878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    2.9107    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
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 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 12 11  1  1  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
>  <Mol_ID> (786)
1379

>  <Formula> (786)
C18H20ClNOS

>  <MolWeight> (786)
333.8755

>  <Item Name> (786)
Duloxetine HCl (Cymbalta)

>  <Catalog Number> (786)
S2084

>  <Synonyms> (786)
N/A

>  <Target> (786)
5-HT Receptor

>  <Form> (786)
HCl

>  <URL> (786)
http://www.selleckchem.com/products/duloxetine-hcl-cymbalta.html

>  <CAS Number> (786)
136434-34-9

$$$$
Almotriptan malate.cdx
csChFnd80/07171813022D

 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
    8.2653    3.1014    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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  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8 10  2  0  0  0  0
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 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
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 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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 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (787)
1380

>  <Formula> (787)
C21H31N3O7S

>  <MolWeight> (787)
469.55174

>  <Item Name> (787)
Almotriptan malate (Axert)

>  <Catalog Number> (787)
S2096

>  <Synonyms> (787)
N/A

>  <Target> (787)
5-HT Receptor

>  <Form> (787)
Malate

>  <URL> (787)
http://www.selleckchem.com/products/almotriptan-malate-axert.html

>  <CAS Number> (787)
181183-52-8

$$$$
Azasetron hydrochloride.cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4528    8.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4528    7.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    7.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8777    8.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6652    9.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0901    6.3078    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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 10 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 18 24  1  0  0  0  0
 24 23  1  0  0  0  0
 23 16  1  0  0  0  0
M  END
>  <Mol_ID> (788)
1381

>  <Formula> (788)
C17H21Cl2N3O3

>  <MolWeight> (788)
386.27294

>  <Item Name> (788)
Azasetron HCl

>  <Catalog Number> (788)
S2106

>  <Synonyms> (788)
N/A

>  <Target> (788)
5-HT Receptor

>  <Form> (788)
HCl

>  <URL> (788)
http://www.selleckchem.com/products/azasetron-hcl.html

>  <CAS Number> (788)
123040-16-4

$$$$
Paroxetine hydrochloride.cdx
csChFnd80/07171813022D

 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
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    2.1544    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    7.7122    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4617    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  6  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  1  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 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> (789)
1383

>  <Formula> (789)
C19H21ClFNO3

>  <MolWeight> (789)
365.8263432

>  <Item Name> (789)
Paroxetine HCl

>  <Catalog Number> (789)
S3005

>  <Synonyms> (789)
N/A

>  <Target> (789)
5-HT Receptor

>  <Form> (789)
Hydrochloride

>  <URL> (789)
http://www.selleckchem.com/products/paroxetine-hcl.html

>  <CAS Number> (789)
78246-49-8

$$$$
Terazosin hydrochloride.cdx
csChFnd80/07171813022D

 31 31  0  0  0  0  0  0  0  0999 V2000
   10.4421    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4421    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6545    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8670    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8670    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6545    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0172    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0172    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6545    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0752    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2876    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5001    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5001    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2876    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0752    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7083    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9165    5.5927    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7083    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0628    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4323    3.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1323    5.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1955    6.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3060    1.1326    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3920    3.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9920    3.8427    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
  8 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
  3 15  1  0  0  0  0
  5 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
 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
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (790)
1384

>  <Formula> (790)
C19H30ClN5O6

>  <MolWeight> (790)
459.9244

>  <Item Name> (790)
Terazosin HCl Dihydrate

>  <Catalog Number> (790)
S2059

>  <Synonyms> (790)
N/A

>  <Target> (790)
Adrenergic Receptor

>  <Form> (790)
HCl & Dihydrate

>  <URL> (790)
http://www.selleckchem.com/products/terazosin-hydrochloride-hytrin.html

>  <CAS Number> (790)
70024-40-7

$$$$
Ivabradine hydrocloride.cdx
csChFnd80/07171813022D

 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
   10.5011   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   17.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886   19.1223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7093   17.7247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804   19.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9175   17.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3762   14.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5886   13.7147    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9497   12.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9632   11.3806    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3243   10.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6156   11.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3378    9.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6989    7.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7124    6.7124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3909    7.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2055    6.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0488    5.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4299    4.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1748    5.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6965    4.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3341    3.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3241    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    2.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    2.9630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9630    0.9865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9495    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5611    5.2347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8324   10.8850    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
  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
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 27 30  1  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
 25 34  2  0  0  0  0
M  END
>  <Mol_ID> (791)
1385

>  <Formula> (791)
C27H37ClN2O5

>  <MolWeight> (791)
505.04608

>  <Item Name> (791)
Ivabradine HCl (Procoralan)

>  <Catalog Number> (791)
S2086

>  <Synonyms> (791)
N/A

>  <Target> (791)
Adrenergic Receptor

>  <Form> (791)
HCl

>  <URL> (791)
http://www.selleckchem.com/products/ivabradine-hcl-procoralan.html

>  <CAS Number> (791)
148849-67-6

$$$$
Betaxolol.cdx
csChFnd80/07171813022D

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6076    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8076    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   15.1979    2.4165    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8954    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2906    3.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1979    4.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7979    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4124    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
  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 20  1  0  0  0  0
M  END
>  <Mol_ID> (792)
1386

>  <Formula> (792)
C18H29NO3

>  <MolWeight> (792)
307.42776

>  <Item Name> (792)
Betaxolol (Betoptic)

>  <Catalog Number> (792)
S2091

>  <Synonyms> (792)
N/A

>  <Target> (792)
Adrenergic Receptor

>  <Form> (792)
Free Base

>  <URL> (792)
http://www.selleckchem.com/products/betaxolol-betoptic.html

>  <CAS Number> (792)
659-18-7

$$$$
Detomidine hydrochloride.cdx
csChFnd80/07171813022D

 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
    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
    5.8446    4.1951    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
    3.4240    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9857    1.7792    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
  1  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 14  1  0  0  0  0
 14 10  2  0  0  0  0
M  END
>  <Mol_ID> (793)
1387

>  <Formula> (793)
C12H15ClN2

>  <MolWeight> (793)
222.7139

>  <Item Name> (793)
Detomidine HCl

>  <Catalog Number> (793)
S2092

>  <Synonyms> (793)
N/A

>  <Target> (793)
Adrenergic Receptor

>  <Form> (793)
HCl

>  <URL> (793)
http://www.selleckchem.com/products/detomidine-hcl.html

>  <CAS Number> (793)
90038-01-0

$$$$
Cisatracurium besylate.cdx
csChFnd80/07171813022D

 87 92  0  0  0  0  0  0  0  0999 V2000
    1.2082   12.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.9896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   12.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   12.7896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.9896    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0580   10.6896    0.0000 N   0  3  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (794)
1388

>  <Formula> (794)
C65H82N2O18S2

>  <MolWeight> (794)
1243.47918

>  <Item Name> (794)
Cisatracurium besylate (Nimbex)

>  <Catalog Number> (794)
S2113

>  <Synonyms> (794)
N/A

>  <Target> (794)
Adrenergic Receptor

>  <Form> (794)
Besylate

>  <URL> (794)
http://www.selleckchem.com/products/cisatracurium-besylate-nimbex.html

>  <CAS Number> (794)
96946-42-8

$$$$
Levosulpiride.cdx
csChFnd80/07171813022D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (795)
1389

>  <Formula> (795)
C15H23N3O4S

>  <MolWeight> (795)
341.42582

>  <Item Name> (795)
Levosulpiride (Levogastrol)

>  <Catalog Number> (795)
S2104

>  <Synonyms> (795)
N/A

>  <Target> (795)
Dopamine Receptor   

>  <Form> (795)
Free Base

>  <URL> (795)
http://www.selleckchem.com/products/levosulpiride-levogastrol.html

>  <CAS Number> (795)
23672-07-3

$$$$
Trimebutine.cdx
csChFnd80/07171813022D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (796)
1390

>  <Formula> (796)
C22H29NO5

>  <MolWeight> (796)
387.46936

>  <Item Name> (796)
Trimebutine

>  <Catalog Number> (796)
S2085

>  <Synonyms> (796)
N/A

>  <Target> (796)
Opioid Receptor

>  <Form> (796)
Free Base

>  <URL> (796)
http://www.selleckchem.com/products/trimebutine.html

>  <CAS Number> (796)
39133-31-8

$$$$
Naltrexone hydrochloride.cdx
csChFnd80/07171813022D

 26 30  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (797)
1391

>  <Formula> (797)
C20H24ClNO4

>  <MolWeight> (797)
377.86186

>  <Item Name> (797)
Naltrexone HCl

>  <Catalog Number> (797)
S2103

>  <Synonyms> (797)
N/A

>  <Target> (797)
Opioid Receptor

>  <Form> (797)
HCl

>  <URL> (797)
http://www.selleckchem.com/products/naltrexone-hcl.html

>  <CAS Number> (797)
16676-29-2

$$$$
Mozavaptan.cdx
csChFnd80/07171813022D

 32 35  0  0  0  0  0  0  0  0999 V2000
    2.4019    7.1884    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
M  END
>  <Mol_ID> (798)
1392

>  <Formula> (798)
C27H29N3O2

>  <MolWeight> (798)
427.53806

>  <Item Name> (798)
Mozavaptan

>  <Catalog Number> (798)
S2920

>  <Synonyms> (798)
N/A

>  <Target> (798)
Others

>  <Form> (798)
Free Base

>  <URL> (798)
http://www.selleckchem.com/products/mozavaptan.html

>  <CAS Number> (798)
137975-06-5

$$$$
icotinib.cdx
csChFnd80/07171813022D

 29 32  0  0  0  0  0  0  0  0999 V2000
   10.6503    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8627    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> (799)
1405

>  <Formula> (799)
C22H21N3O4

>  <MolWeight> (799)
391.41984

>  <Item Name> (799)
Icotinib

>  <Catalog Number> (799)
S2922

>  <Synonyms> (799)
BPI-2009H 

>  <Target> (799)
EGFR

>  <Form> (799)
Free Base

>  <URL> (799)
http://www.selleckchem.com/products/icotinib.html

>  <CAS Number> (799)
610798-31-7

$$$$
Melatonin.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (800)
1408

>  <Formula> (800)
C13H16N2O2

>  <MolWeight> (800)
232.27834

>  <Item Name> (800)
Melatonin

>  <Catalog Number> (800)
S1204

>  <Synonyms> (800)
Melatonex

>  <Target> (800)
MT Receptor

>  <Form> (800)
Free Base

>  <URL> (800)
http://www.selleckchem.com/products/Melatonin.html

>  <CAS Number> (800)
73-31-4

$$$$
Felbamate.cdx
csChFnd80/07171813022D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6331    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> (801)
1409

>  <Formula> (801)
C11H14N2O4

>  <MolWeight> (801)
238.23986

>  <Item Name> (801)
Felbamate

>  <Catalog Number> (801)
S1330

>  <Synonyms> (801)
Felbatol

>  <Target> (801)
NMDAR

>  <Form> (801)
Free Base

>  <URL> (801)
http://www.selleckchem.com/products/Felbamate.html

>  <CAS Number> (801)
25451-15-4

$$$$
Fluvoxamine maleate.cdx
csChFnd80/07171813022D

 30 29  0  0  0  0  0  0  0  0999 V2000
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    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
    4.3290    4.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
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 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> (802)
1410

>  <Formula> (802)
C19H25F3N2O6

>  <MolWeight> (802)
434.4068096

>  <Item Name> (802)
Fluvoxamine maleate

>  <Catalog Number> (802)
S1336

>  <Synonyms> (802)
Luvox

>  <Target> (802)
5-HT Receptor

>  <Form> (802)
Maleate

>  <URL> (802)
http://www.selleckchem.com/products/Fluvoxamine-maleate.html

>  <CAS Number> (802)
61718-82-9

$$$$
Oxcarbazepine.cdx
csChFnd80/07171813022D

 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
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    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
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
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 15  3  1  0  0  0  0
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  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> (803)
1411

>  <Formula> (803)
C15H12N2O2

>  <MolWeight> (803)
252.26798

>  <Item Name> (803)
Oxcarbazepine

>  <Catalog Number> (803)
S1391

>  <Synonyms> (803)
Trileptal

>  <Target> (803)
Sodium Channel

>  <Form> (803)
Free Base

>  <URL> (803)
http://www.selleckchem.com/products/Oxcarbazepine.html

>  <CAS Number> (803)
28721-07-5

$$$$
Prazosin hydrochloride.cdx
csChFnd80/07171813022D

 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
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    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
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    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3823    8.9597    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
 19 22  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> (804)
1414

>  <Formula> (804)
C19H22ClN5O4

>  <MolWeight> (804)
419.86208

>  <Item Name> (804)
Prazosin HCl

>  <Catalog Number> (804)
S1424

>  <Synonyms> (804)
Minipress,Vasoflex,Pressin and Hypovase

>  <Target> (804)
Others

>  <Form> (804)
Hydrochloride

>  <URL> (804)
http://www.selleckchem.com/products/Prazosin-hydrochloride.html

>  <CAS Number> (804)
19237-84-4

$$$$
NAQUIVAL (trichlormethiazide).cdx
csChFnd80/07171813022D

 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
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    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
    1.3832    4.1951    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.0209    2.7523    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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  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> (805)
1418

>  <Formula> (805)
C8H8Cl3N3O4S2

>  <MolWeight> (805)
380.65582

>  <Item Name> (805)
Trichlormethiazide (Achletin)

>  <Catalog Number> (805)
S1667

>  <Synonyms> (805)
Achletin, Diu-Hydrin, Triflumen

>  <Target> (805)
Others

>  <Form> (805)
Free Base

>  <URL> (805)
http://www.selleckchem.com/products/Trichlormethiazide(Achletin).html

>  <CAS Number> (805)
133-67-5

$$$$
PROFENAL (suprofen).cdx
csChFnd80/07171813022D

 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
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    7.0571    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  1 12  1  0  0  0  0
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 18 13  2  0  0  0  0
M  END
>  <Mol_ID> (806)
1419

>  <Formula> (806)
C14H12O3S

>  <MolWeight> (806)
260.30828

>  <Item Name> (806)
Suprofen (Profenal)

>  <Catalog Number> (806)
S1761

>  <Synonyms> (806)
Profenal, Topalgic, Suprol

>  <Target> (806)
COX

>  <Form> (806)
Free Base

>  <URL> (806)
http://www.selleckchem.com/products/Suprofen(Profenal).html

>  <CAS Number> (806)
40828-46-4

$$$$
Pranlukast.cdx
csChFnd80/07171813022D

 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
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    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
    3.4240    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4819    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8984    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5315    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9479    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1562    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3644    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5726    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9975    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (807)
1421

>  <Formula> (807)
C27H23N5O4

>  <MolWeight> (807)
481.50262

>  <Item Name> (807)
Pranlukast

>  <Catalog Number> (807)
S1829

>  <Synonyms> (807)
N/A

>  <Target> (807)
Others

>  <Form> (807)
Free Base

>  <URL> (807)
http://www.selleckchem.com/products/pranlukast.html

>  <CAS Number> (807)
103177-37-3

$$$$
Oxfendazole.cdx
csChFnd80/07171813022D

 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> (808)
1422

>  <Formula> (808)
C15H13N3O3S

>  <MolWeight> (808)
315.34702

>  <Item Name> (808)
Oxfendazole

>  <Catalog Number> (808)
S1830

>  <Synonyms> (808)
N/A

>  <Target> (808)
Antifection

>  <Form> (808)
Free Base

>  <URL> (808)
http://www.selleckchem.com/products/oxfendazole.html

>  <CAS Number> (808)
53716-50-0

$$$$
Tizanidine hydrochloride.cdx
csChFnd80/07171813022D

 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
 13 14  1  0  0  0  0
 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> (809)
1423

>  <Formula> (809)
C9H9Cl2N5S

>  <MolWeight> (809)
290.17226

>  <Item Name> (809)
Tizanidine HCl

>  <Catalog Number> (809)
S1437

>  <Synonyms> (809)
Zanaflex, Sirdalud

>  <Target> (809)
Adrenergic Receptor

>  <Form> (809)
Hydrochloride

>  <URL> (809)
http://www.selleckchem.com/products/Tizanidine-hydrochloride.html

>  <CAS Number> (809)
64461-82-1

$$$$
Calcifediol.cdx
csChFnd80/07171813022D

 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> (810)
1425

>  <Formula> (810)
C27H44O2

>  <MolWeight> (810)
400.63706

>  <Item Name> (810)
Calcifediol

>  <Catalog Number> (810)
S1469

>  <Synonyms> (810)
Calcidiol, Didrogyl, Hidroferol

>  <Target> (810)
Vitamin

>  <Form> (810)
Free Base

>  <URL> (810)
http://www.selleckchem.com/products/Calcifediol.html

>  <CAS Number> (810)
19356-17-3

$$$$
Erythromycin ethylsuccinate.cdx
csChFnd80/07171813022D

 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
   10.9246   10.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246   13.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831   11.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664   14.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8742    9.3480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9743    7.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0764   14.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    6.3049    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4955    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7121    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9288    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    6.3049    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (811)
1426

>  <Formula> (811)
C43H75NO16

>  <MolWeight> (811)
862.0527

>  <Item Name> (811)
Erythromycin Ethylsuccinate

>  <Catalog Number> (811)
S4060

>  <Synonyms> (811)
N/A

>  <Target> (811)
Antifection

>  <Form> (811)
Free Base

>  <URL> (811)
http://www.selleckchem.com/products/erythromycin-ethylsuccinate.html

>  <CAS Number> (811)
1264-62-6

$$$$
Linezolid.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (812)
1427

>  <Formula> (812)
C23H23N7O5

>  <MolWeight> (812)
477.47262

>  <Item Name> (812)
Pralatrexate(Folotyn)

>  <Catalog Number> (812)
S1497

>  <Synonyms> (812)
Folotyn

>  <Target> (812)
DHFR

>  <Form> (812)
Free Base

>  <URL> (812)
http://www.selleckchem.com/products/Pralatrexate(Folotyn).html

>  <CAS Number> (812)
146464-95-1

$$$$
CAVERJECT (alprostadil).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (813)
1428

>  <Formula> (813)
C20H34O5

>  <MolWeight> (813)
354.48096

>  <Item Name> (813)
Alprostadil(Caverject)

>  <Catalog Number> (813)
S1508

>  <Synonyms> (813)
Prostaglandin E1, Edex, Muse, Liprostin

>  <Target> (813)
Immunology & Inflammation related

>  <Form> (813)
Free Base

>  <URL> (813)
http://www.selleckchem.com/products/Alprostadil(Caverject).html

>  <CAS Number> (813)
745-65-3

$$$$

csChFnd80/07171813022D

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M  END
>  <Mol_ID> (814)
1429

>  <Formula> (814)
C18H25N3O2

>  <MolWeight> (814)
315.41

>  <Item Name> (814)
Saxagliptin (BMS-477118,Onglyza)

>  <Catalog Number> (814)
S1540

>  <Synonyms> (814)
N/A

>  <Target> (814)
DPP-4

>  <Form> (814)
Free Base

>  <URL> (814)
http://www.selleckchem.com/products/Saxagliptin(Onglyza).html

>  <CAS Number> (814)
361442-04-8

$$$$
DEPEN (penicillamine).cdx
csChFnd80/07171813022D

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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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  2  8  1  0  0  0  0
  3  9  1  6  0  0  0
M  END
>  <Mol_ID> (815)
1430

>  <Formula> (815)
C5H11NO2S

>  <MolWeight> (815)
149.21134

>  <Item Name> (815)
Penicillamine (Cuprimine)

>  <Catalog Number> (815)
S1853

>  <Synonyms> (815)
Depen, Distamine, D-Mercaptovaline, D-Penamine, Kuprenil

>  <Target> (815)
Others

>  <Form> (815)
Free Base

>  <URL> (815)
http://www.selleckchem.com/products/Penicillamine(Cuprimine).html

>  <CAS Number> (815)
52-67-5

$$$$
Roxatidine acetate hydrochloride.cdx
csChFnd80/07171813022D

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   18.1445    1.7281    0.0000 O   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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  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 19 25  2  0  0  0  0
M  END
>  <Mol_ID> (816)
1431

>  <Formula> (816)
C19H29ClN2O4

>  <MolWeight> (816)
384.89756

>  <Item Name> (816)
Roxatidine acetate HCl

>  <Catalog Number> (816)
S1880

>  <Synonyms> (816)
N/A

>  <Target> (816)
Histamine Receptor

>  <Form> (816)
Hydrochloride

>  <URL> (816)
http://www.selleckchem.com/products/roxatidine-acetate-hcl.html

>  <CAS Number> (816)
93793-83-0

$$$$
Protionamide.cdx
csChFnd80/07171813022D

 12 12  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4165    2.7976    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    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
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  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
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (817)
1432

>  <Formula> (817)
C9H12N2S

>  <MolWeight> (817)
180.26998

>  <Item Name> (817)
Protionamide (Prothionamide)

>  <Catalog Number> (817)
S1881

>  <Synonyms> (817)
N/A

>  <Target> (817)
Antifection

>  <Form> (817)
Free Base

>  <URL> (817)
http://www.selleckchem.com/products/protionamide-prothionamide.html

>  <CAS Number> (817)
14222-60-7

$$$$
MICROSUL (sulfamethizole).cdx
csChFnd80/07171813022D

 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
    6.0538    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
    8.5410    2.2257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    3.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8652    3.1203    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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  9 10  1  0  0  0  0
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  8 16  2  0  0  0  0
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M  END
>  <Mol_ID> (818)
1434

>  <Formula> (818)
C9H10N4O2S2

>  <MolWeight> (818)
270.3313

>  <Item Name> (818)
Sulfamethizole (Proklar)

>  <Catalog Number> (818)
S1957

>  <Synonyms> (818)
Proklar

>  <Target> (818)
Antifection

>  <Form> (818)
Free Base

>  <URL> (818)
http://www.selleckchem.com/products/Sulfamethizole(Proklar).html

>  <CAS Number> (818)
144-82-1

$$$$
MYDRIACYL (tropicamide).cdx
csChFnd80/07171813022D

 21 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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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    3.6331    2.7976    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (819)
1435

>  <Formula> (819)
C17H20N2O2

>  <MolWeight> (819)
284.3529

>  <Item Name> (819)
Tropicamide

>  <Catalog Number> (819)
S1913

>  <Synonyms> (819)
N/A

>  <Target> (819)
AChR

>  <Form> (819)
Free Base

>  <URL> (819)
http://www.selleckchem.com/products/tropicamide.html

>  <CAS Number> (819)
1508-75-4

$$$$
Sulbactam.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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    0.9865    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (820)
1436

>  <Formula> (820)
C8H11NO5S

>  <MolWeight> (820)
233.24164

>  <Item Name> (820)
Sulbactam

>  <Catalog Number> (820)
S1958

>  <Synonyms> (820)
N/A

>  <Target> (820)
Antifection

>  <Form> (820)
Free Base

>  <URL> (820)
http://www.selleckchem.com/products/sulbactam.html

>  <CAS Number> (820)
68373-14-8

$$$$
Pranoprofen.cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
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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> (821)
1437

>  <Formula> (821)
C15H13NO3

>  <MolWeight> (821)
255.26862

>  <Item Name> (821)
Pranoprofen

>  <Catalog Number> (821)
S1960

>  <Synonyms> (821)
N/A

>  <Target> (821)
COX

>  <Form> (821)
Free Base

>  <URL> (821)
http://www.selleckchem.com/products/pranoprofen.html

>  <CAS Number> (821)
52549-17-4

$$$$
Rimantadine.cdx
csChFnd80/07171813022D

 13 15  0  0  0  0  0  0  0  0999 V2000
    0.9751    2.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751    1.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (822)
1438

>  <Formula> (822)
C12H21N

>  <MolWeight> (822)
179.30184

>  <Item Name> (822)
Rimantadine (Flumadine)

>  <Catalog Number> (822)
S1964

>  <Synonyms> (822)
N/A

>  <Target> (822)
Antifection

>  <Form> (822)
Free Base

>  <URL> (822)
http://www.selleckchem.com/products/rimantadine-flumadine.html

>  <CAS Number> (822)
13392-28-4

$$$$
Meglumine.cdx
csChFnd80/07171813022D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 C   0  0  0  0  0  0  0  0  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> (823)
1439

>  <Formula> (823)
C7H17NO5

>  <MolWeight> (823)
195.21358

>  <Item Name> (823)
Meglumine

>  <Catalog Number> (823)
S1974

>  <Synonyms> (823)
N/A

>  <Target> (823)
Others

>  <Form> (823)
Free Base

>  <URL> (823)
http://www.selleckchem.com/products/meglumine.html

>  <CAS Number> (823)
6284-40-8

$$$$
Sarafloxacin hydrochloride.cdx
csChFnd80/07171813022D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4165    8.2688    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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  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
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 24 25  2  0  0  0  0
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 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (824)
1440

>  <Formula> (824)
C20H18ClF2N3O3

>  <MolWeight> (824)
421.8250264

>  <Item Name> (824)
Sarafloxacin HCl

>  <Catalog Number> (824)
S1977

>  <Synonyms> (824)
N/A

>  <Target> (824)
Antifection

>  <Form> (824)
Hydrochloride

>  <URL> (824)
http://www.selleckchem.com/products/sarafloxacin-hydrochloride.html

>  <CAS Number> (824)
91296-87-6

$$$$
Diclazuril.cdx
csChFnd80/07171813022D

 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
    1.2082    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4828    2.7976    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
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M  END
>  <Mol_ID> (825)
1441

>  <Formula> (825)
C17H9Cl3N4O2

>  <MolWeight> (825)
407.63796

>  <Item Name> (825)
Diclazuril

>  <Catalog Number> (825)
S2028

>  <Synonyms> (825)
N/A

>  <Target> (825)
Antifection

>  <Form> (825)
Free Base

>  <URL> (825)
http://www.selleckchem.com/products/diclazuril.html

>  <CAS Number> (825)
101831-37-2

$$$$
Flunarizine dihydrochloride.cdx
csChFnd80/07171813022D

 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
   14.9960    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   23.4620    5.5879    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
   13.1631    4.1940    0.0000 Cl  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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 29 30  2  0  0  0  0
 30 23  1  0  0  0  0
M  END
>  <Mol_ID> (826)
1442

>  <Formula> (826)
C26H28Cl2F2N2

>  <MolWeight> (826)
477.4167264

>  <Item Name> (826)
Flunarizine 2HCl

>  <Catalog Number> (826)
S2030

>  <Synonyms> (826)
N/A

>  <Target> (826)
Calcium Channel

>  <Form> (826)
2HCl

>  <URL> (826)
http://www.selleckchem.com/products/flunarizine-dihydrochloride.html

>  <CAS Number> (826)
30484-77-6

$$$$
Fenticonazole nitrate.cdx
csChFnd80/07171813022D

 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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 28  7  1  0  0  0  0
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M  END
>  <Mol_ID> (827)
1443

>  <Formula> (827)
C24H21Cl2N3O4S

>  <MolWeight> (827)
518.41224

>  <Item Name> (827)
Fenticonazole nitrate

>  <Catalog Number> (827)
S2031

>  <Synonyms> (827)
N/A

>  <Target> (827)
Antifection

>  <Form> (827)
Nitrate

>  <URL> (827)
http://www.selleckchem.com/products/fenticonazole-nitrate.html

>  <CAS Number> (827)
73151-29-8

$$$$
Rebamipide.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (828)
1444

>  <Formula> (828)
C19H15ClN2O4

>  <MolWeight> (828)
370.7864

>  <Item Name> (828)
Rebamipide

>  <Catalog Number> (828)
S2032

>  <Synonyms> (828)
N/A

>  <Target> (828)
Others

>  <Form> (828)
Free Base

>  <URL> (828)
http://www.selleckchem.com/products/rebamipide.html

>  <CAS Number> (828)
90098-04-7

$$$$
Bromhexine hydrochloride.cdx
csChFnd80/07171813022D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (829)
1445

>  <Formula> (829)
C14H21Br2ClN2

>  <MolWeight> (829)
412.59094

>  <Item Name> (829)
Bromhexine HCl

>  <Catalog Number> (829)
S2060

>  <Synonyms> (829)
N/A

>  <Target> (829)
Others

>  <Form> (829)
HCl

>  <URL> (829)
http://www.selleckchem.com/products/bromhexine-hydrochloride.html

>  <CAS Number> (829)
611-75-6

$$$$
ADENOSINE (adenosine).cdx
csChFnd80/07171813022D

 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
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    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
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    2.4122    0.0024    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> (830)
1446

>  <Formula> (830)
C24H36O5

>  <MolWeight> (830)
404.53964

>  <Item Name> (830)
Lovastatin (Mevacor)

>  <Catalog Number> (830)
S2061

>  <Synonyms> (830)
N/A

>  <Target> (830)
HMG-CoA Reductase

>  <Form> (830)
Free Base

>  <URL> (830)
http://www.selleckchem.com/products/lovastatin-mevacor.html

>  <CAS Number> (830)
75330-75-5

$$$$
Tiopronin.cdx
csChFnd80/07171813022D

 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
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    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
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  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (831)
1447

>  <Formula> (831)
C5H9NO3S

>  <MolWeight> (831)
163.19486

>  <Item Name> (831)
Tiopronin (Thiola)

>  <Catalog Number> (831)
S2062

>  <Synonyms> (831)
N/A

>  <Target> (831)
ROS

>  <Form> (831)
Free Base

>  <URL> (831)
http://www.selleckchem.com/products/tiopronin-thiola.html

>  <CAS Number> (831)
1953-02-2

$$$$
Balofloxacin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (832)
1449

>  <Formula> (832)
C20H24FN3O4

>  <MolWeight> (832)
389.4206632

>  <Item Name> (832)
Balofloxacin

>  <Catalog Number> (832)
S2064

>  <Synonyms> (832)
N/A

>  <Target> (832)
Topoisomerase

>  <Form> (832)
Free Base

>  <URL> (832)
http://www.selleckchem.com/products/balofloxacin.html

>  <CAS Number> (832)
127294-70-6

$$$$
Lafutidine.cdx
csChFnd80/07171813022D

 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
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  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (833)
1450

>  <Formula> (833)
C22H29N3O4S

>  <MolWeight> (833)
431.54836

>  <Item Name> (833)
Lafutidine

>  <Catalog Number> (833)
S2065

>  <Synonyms> (833)
N/A

>  <Target> (833)
Histamine Receptor

>  <Form> (833)
Free Base

>  <URL> (833)
http://www.selleckchem.com/products/lafutidine.html

>  <CAS Number> (833)
118288-08-7

$$$$
Moxonidine.cdx
csChFnd80/07171813022D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  5  7  1  0  0  0  0
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M  END
>  <Mol_ID> (834)
1451

>  <Formula> (834)
C9H12ClN5O

>  <MolWeight> (834)
241.67748

>  <Item Name> (834)
Moxonidine

>  <Catalog Number> (834)
S2066

>  <Synonyms> (834)
N/A

>  <Target> (834)
Others

>  <Form> (834)
Free Base

>  <URL> (834)
http://www.selleckchem.com/products/moxonidine.html

>  <CAS Number> (834)
75438-57-2

$$$$
Argatroban.cdx
csChFnd80/07171813022D

 36 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (835)
1452

>  <Formula> (835)
C23H36N6O5S

>  <MolWeight> (835)
508.63414

>  <Item Name> (835)
Argatroban

>  <Catalog Number> (835)
S2069

>  <Synonyms> (835)
N/A

>  <Target> (835)
Thrombin

>  <Form> (835)
Free Base

>  <URL> (835)
http://www.selleckchem.com/products/argatroban.html

>  <CAS Number> (835)
74863-84-6

$$$$
Mecarbinate.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (836)
1453

>  <Formula> (836)
C13H15NO3

>  <MolWeight> (836)
233.2631

>  <Item Name> (836)
Mecarbinate

>  <Catalog Number> (836)
S2074

>  <Synonyms> (836)
N/A

>  <Target> (836)
Others

>  <Form> (836)
Free Base

>  <URL> (836)
http://www.selleckchem.com/products/mecarbinate.html

>  <CAS Number> (836)
15574-49-9

$$$$
Rosiglitazone hydrochloride.cdx
csChFnd80/07171813022D

 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
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 23 24  2  0  0  0  0
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M  END
>  <Mol_ID> (837)
1454

>  <Formula> (837)
C18H20ClN3O3S

>  <MolWeight> (837)
393.8877

>  <Item Name> (837)
Rosiglitazone HCl

>  <Catalog Number> (837)
S2075

>  <Synonyms> (837)
N/A

>  <Target> (837)
PPAR

>  <Form> (837)
HCl

>  <URL> (837)
http://www.selleckchem.com/products/rosiglitazone-hydrochloride.html

>  <CAS Number> (837)
302543-62-0

$$$$
LIQUID PRED (Lisinopril).cdx
csChFnd80/07171813022D

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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (838)
1455

>  <Formula> (838)
C21H31N3O5

>  <MolWeight> (838)
405.48794

>  <Item Name> (838)
Lisinopril (Zestril)

>  <Catalog Number> (838)
S2076

>  <Synonyms> (838)
Prinivil

>  <Target> (838)
RAAS

>  <Form> (838)
Free Base

>  <URL> (838)
http://www.selleckchem.com/products/lisinopril-zestril.html

>  <CAS Number> (838)
83915-83-7

$$$$
Atorvastatin calcium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (839)
1456

>  <Formula> (839)
C66H68CaF2N4O10

>  <MolWeight> (839)
1155.3417264

>  <Item Name> (839)
Atorvastatin calcium (Lipitor)

>  <Catalog Number> (839)
S2077

>  <Synonyms> (839)
N/A

>  <Target> (839)
HMG-CoA Reductase

>  <Form> (839)
Calcium 

>  <URL> (839)
http://www.selleckchem.com/products/atorvastatin-calcium-lipitor.html

>  <CAS Number> (839)
134523-03-8

$$$$
Famotidine.cdx
csChFnd80/07171813022D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.7354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.4379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.7379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8540    2.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    2.7379    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6415    4.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9191    4.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2247    1.0486    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9871    3.3093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3195    2.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1424    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5347    1.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5730    0.0000    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
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  4  5  1  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  4 10  2  0  0  0  0
  2 11  2  0  0  0  0
  2 12  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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 16  9  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (840)
1457

>  <Formula> (840)
C8H15N7O2S3

>  <MolWeight> (840)
337.4454

>  <Item Name> (840)
Famotidine (Pepcid)

>  <Catalog Number> (840)
S2078

>  <Synonyms> (840)
N/A

>  <Target> (840)
Histamine Receptor

>  <Form> (840)
Free Base

>  <URL> (840)
http://www.selleckchem.com/products/famotidine-pepcid.html

>  <CAS Number> (840)
76824-35-6

$$$$
Moexipril hydrochloride.cdx
csChFnd80/07171813022D

 37 38  0  0  0  0  0  0  0  0999 V2000
    2.4249    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    9.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    6.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3537    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5703    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7870    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5703    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    0.7073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.8073    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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  2  9  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  5  1  0  0  0  0
 13 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  2  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  1  0  0  0
 20 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  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
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 24 33  2  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (841)
1458

>  <Formula> (841)
C27H35ClN2O7

>  <MolWeight> (841)
535.029

>  <Item Name> (841)
Moexipril HCl

>  <Catalog Number> (841)
S2079

>  <Synonyms> (841)
N/A

>  <Target> (841)
RAAS

>  <Form> (841)
Hydrochloride

>  <URL> (841)
http://www.selleckchem.com/products/moexipril-hydrochloride.html

>  <CAS Number> (841)
82586-52-5

$$$$
Cleviprex.cdx
csChFnd80/07171813022D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5198    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  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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  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
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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> (842)
1459

>  <Formula> (842)
C21H23Cl2NO6

>  <MolWeight> (842)
456.31642

>  <Item Name> (842)
Clevidipine Butyrate

>  <Catalog Number> (842)
S2080

>  <Synonyms> (842)
N/A

>  <Target> (842)
Calcium Channel

>  <Form> (842)
Free Base

>  <URL> (842)
http://www.selleckchem.com/products/cleviprex-clevidipine.html

>  <CAS Number> (842)
167221-71-8

$$$$
Cilazapril monohydrate.cdx
csChFnd80/07171813022D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    6.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    7.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    5.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2831    5.5024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3700    2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5922    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
 14 10  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 14  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 25 28  2  0  0  0  0
 13 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (843)
1460

>  <Formula> (843)
C22H33N3O6

>  <MolWeight> (843)
435.51392

>  <Item Name> (843)
Cilazapril monohydrate (Inhibace)

>  <Catalog Number> (843)
S2081

>  <Synonyms> (843)
N/A

>  <Target> (843)
RAAS

>  <Form> (843)
Monohydrate

>  <URL> (843)
http://www.selleckchem.com/products/cilazapril-monohydrate-inhibace.html

>  <CAS Number> (843)
92077-78-6

$$$$
Adiphenine hydrochloride.cdx
csChFnd80/07171813022D

 24 24  0  0  0  0  0  0  0  0999 V2000
    6.0411    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    9.1097    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
  2  3  1  0  0  0  0
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  6  7  2  0  0  0  0
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  8  9  2  0  0  0  0
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 10 11  1  0  0  0  0
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 13 14  2  0  0  0  0
 14  3  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 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> (844)
1461

>  <Formula> (844)
C20H26ClNO2

>  <MolWeight> (844)
347.87894

>  <Item Name> (844)
Adiphenine HCl

>  <Catalog Number> (844)
S2082

>  <Synonyms> (844)
N/A

>  <Target> (844)
AChR

>  <Form> (844)
HCl

>  <URL> (844)
http://www.selleckchem.com/products/adiphenine-hcl.html

>  <CAS Number> (844)
50-42-0

$$$$
Rivastigmine tartrate.cdx
csChFnd80/07171813022D

 28 27  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0664    1.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    1.7195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    3.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.8244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9204    3.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    5.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1883    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4050    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6174    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.8299    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.0423    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2547    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0423    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4050    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8299    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
  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
 11 12  1  0  0  0  0
  8 13  2  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
 15 17  1  0  0  0  0
 14 18  1  6  0  0  0
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 20 21  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  1  0  0  0
 22 28  1  1  0  0  0
M  END
>  <Mol_ID> (845)
1462

>  <Formula> (845)
C18H28N2O8

>  <MolWeight> (845)
400.42352

>  <Item Name> (845)
Rivastigmine tartrate (Exelon)

>  <Catalog Number> (845)
S2087

>  <Synonyms> (845)
N/A

>  <Target> (845)
AChR

>  <Form> (845)
Tartrate

>  <URL> (845)
http://www.selleckchem.com/products/rivastigmine-tartrate-exelon.html

>  <CAS Number> (845)
129101-54-8

$$$$
Dexmedetomidine hydrochloride.cdx
csChFnd80/07171813022D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.6364    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    3.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    2.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    3.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    4.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    5.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2695    2.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.1278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.5254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2157    3.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.6177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4282    1.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024    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
  3  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  9 15  1  6  0  0  0
M  END
>  <Mol_ID> (846)
1463

>  <Formula> (846)
C13H17ClN2

>  <MolWeight> (846)
236.74048

>  <Item Name> (846)
Dexmedetomidine HCl (Precedex)

>  <Catalog Number> (846)
S2090

>  <Synonyms> (846)
N/A

>  <Target> (846)
Androgen Receptor

>  <Form> (846)
HCl

>  <URL> (846)
http://www.selleckchem.com/products/dexmedetomidine-hcl-precedex.html

>  <CAS Number> (846)
145108-58-3

$$$$
Fosinopril sodium.cdx
csChFnd80/07171813022D

 40 41  0  0  0  0  0  0  0  0999 V2000
    6.9951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951   14.6894    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.7951   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951   16.0846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3951   13.2943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   16.7822    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8116   16.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6034   18.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   14.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   16.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   18.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   18.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2280   18.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8116   20.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4951   13.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951   13.4770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976   12.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976   15.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   15.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   17.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   17.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   18.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   18.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000   15.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7180   12.3444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0495   12.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0495   14.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7180   14.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2869   11.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2205    9.9807    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8306    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   10.9223   10.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1782   14.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4572   14.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5898   15.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4435   16.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1645   17.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0319   16.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
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  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 26 21  1  0  0  0  0
 16 27  1  0  0  0  0
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 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 16  1  0  0  0  0
 27 31  1  1  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 29 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 35  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
>  <Mol_ID> (847)
1465

>  <Formula> (847)
C30H45NNaO7P

>  <MolWeight> (847)
585.644331

>  <Item Name> (847)
Fosinopril sodium (Monopril)

>  <Catalog Number> (847)
S2095

>  <Synonyms> (847)
N/A

>  <Target> (847)
RAAS

>  <Form> (847)
Sodium Salt

>  <URL> (847)
http://www.selleckchem.com/products/fosinopril-sodium-monopril.html

>  <CAS Number> (847)
88889-14-9

$$$$
Ambrisentan.cdx
csChFnd80/07171813022D

 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
    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
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    8.4744    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1927    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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  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  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  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
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 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  3  1  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (848)
1466

>  <Formula> (848)
C22H22N2O4

>  <MolWeight> (848)
378.42108

>  <Item Name> (848)
Ambrisentan

>  <Catalog Number> (848)
S2097

>  <Synonyms> (848)
N/A

>  <Target> (848)
Endothelin Receptor

>  <Form> (848)
Free Base

>  <URL> (848)
http://www.selleckchem.com/products/ambrisentan.html

>  <CAS Number> (848)
177036-94-1

$$$$
Bexarotene.cdx
csChFnd80/07171813022D

 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
    2.4249    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124   10.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5124    5.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
  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  2  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  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> (849)
1467

>  <Formula> (849)
C24H28O2

>  <MolWeight> (849)
348.47792

>  <Item Name> (849)
Bexarotene

>  <Catalog Number> (849)
S2098

>  <Synonyms> (849)
N/A

>  <Target> (849)
Retinoid Receptor

>  <Form> (849)
Free Base

>  <URL> (849)
http://www.selleckchem.com/products/bexarotene.html

>  <CAS Number> (849)
153559-49-0

$$$$
Temocapril hydrochloride.cdx
csChFnd80/07171813022D

 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
    2.4249    2.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    8.4660    4.7372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6227    3.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9606    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4720    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7720    6.8768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3877    7.0855    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3614    6.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4148    2.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.2413    9.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8490    9.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7285    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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
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 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 10  1  1  0  0  0
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 22 16  1  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 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> (850)
1468

>  <Formula> (850)
C23H29ClN2O5S2

>  <MolWeight> (850)
513.06976

>  <Item Name> (850)
Temocapril HCl

>  <Catalog Number> (850)
S2099

>  <Synonyms> (850)
N/A

>  <Target> (850)
RAAS

>  <Form> (850)
Hydrochloride

>  <URL> (850)
http://www.selleckchem.com/products/temocapril-hcl.html

>  <CAS Number> (850)
110221-44-8

$$$$
Gabexate mesylate.cdx
csChFnd80/07171813022D

 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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    4.8497    5.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.4195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
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    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
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    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
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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
 16 18  2  0  0  0  0
  4 19  1  0  0  0  0
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 25 27  1  0  0  0  0
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M  END
>  <Mol_ID> (851)
1470

>  <Formula> (851)
C17H27N3O7S

>  <MolWeight> (851)
417.47718

>  <Item Name> (851)
Gabexate mesylate

>  <Catalog Number> (851)
S2101

>  <Synonyms> (851)
N/A

>  <Target> (851)
Proteasome

>  <Form> (851)
Mesylate

>  <URL> (851)
http://www.selleckchem.com/products/gabexate-mesylate.html

>  <CAS Number> (851)
56974-61-9

$$$$
Rasagiline mesylate.cdx
csChFnd80/07171813022D

 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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5521    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832    5.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456    6.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0291    0.3694    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
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 15  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  END
>  <Mol_ID> (852)
1471

>  <Formula> (852)
C13H17NO3S

>  <MolWeight> (852)
267.34398

>  <Item Name> (852)
Rasagiline mesylate

>  <Catalog Number> (852)
S2102

>  <Synonyms> (852)
N/A

>  <Target> (852)
MAO

>  <Form> (852)
Mesylate

>  <URL> (852)
http://www.selleckchem.com/products/rasagiline-mesylate.html

>  <CAS Number> (852)
161735-79-1

$$$$
Flunixin meglumine.cdx
csChFnd80/07171813022D

 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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    5.6000    7.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    7.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.1876   10.5933    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   11.1057    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    9.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8377    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2377    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377    2.4249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2377    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3377    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0377    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3377    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4377    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1377    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1377    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4377    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1377    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  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> (853)
1473

>  <Formula> (853)
C21H28F3N3O7

>  <MolWeight> (853)
491.4581296

>  <Item Name> (853)
Flunixin meglumin

>  <Catalog Number> (853)
S2108

>  <Synonyms> (853)
N/A

>  <Target> (853)
COX

>  <Form> (853)
Meglumin

>  <URL> (853)
http://www.selleckchem.com/products/flunixin-meglumin.html

>  <CAS Number> (853)
42461-84-7

$$$$
Vinpocetine.cdx
csChFnd80/07171813022D

 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
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6974    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.4024    0.0000 C   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
    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> (854)
1474

>  <Formula> (854)
C22H26N2O2

>  <MolWeight> (854)
350.45404

>  <Item Name> (854)
Vinpocetine (Cavinton)

>  <Catalog Number> (854)
S2110

>  <Synonyms> (854)
N/A

>  <Target> (854)
Sodium Channel

>  <Form> (854)
Free Base

>  <URL> (854)
http://www.selleckchem.com/products/vinpocetine-cavinton.html

>  <CAS Number> (854)
42971-09-5

$$$$
Dronedarone hydrochloride.cdx
csChFnd80/07171813022D

 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
    9.6033    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.3852    4.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (855)
1475

>  <Formula> (855)
C31H45ClN2O5S

>  <MolWeight> (855)
593.2174

>  <Item Name> (855)
Dronedarone HCl (Multaq)

>  <Catalog Number> (855)
S2114

>  <Synonyms> (855)
N/A

>  <Target> (855)
Potassium Channel,Sodium

>  <Form> (855)
HCl

>  <URL> (855)
http://www.selleckchem.com/products/dronedarone-hcl-multaq.html

>  <CAS Number> (855)
141625-93-6

$$$$
Conivaptan hydrochloride.cdx
csChFnd80/07171813022D

 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
    6.0580    3.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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 10  2  0  0  0  0
 10  3  1  0  0  0  0
  4 11  2  0  0  0  0
 11 12  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  4  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 20  1  0  0  0  0
 20 21  2  0  0  0  0
 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> (856)
1476

>  <Formula> (856)
C32H27ClN4O2

>  <MolWeight> (856)
535.03538

>  <Item Name> (856)
Conivaptan HCl (Vaprisol)

>  <Catalog Number> (856)
S2116

>  <Synonyms> (856)
N/A

>  <Target> (856)
Vasopressin Receptor

>  <Form> (856)
HCl

>  <URL> (856)
http://www.selleckchem.com/products/conivaptan-hcl-vaprisol.html

>  <CAS Number> (856)
168626-94-6

$$$$

csChFnd80/07171813022D

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M  END
>  <Mol_ID> (857)
1477

>  <Formula> (857)
C44H76N4O10S2

>  <MolWeight> (857)
885.22504

>  <Item Name> (857)
Ibutilide fumarate

>  <Catalog Number> (857)
S2118

>  <Synonyms> (857)
N/A

>  <Target> (857)
Sodium Channel

>  <Form> (857)
Fumarate

>  <URL> (857)
http://www.selleckchem.com/products/ibutilide-fumarate.html

>  <CAS Number> (857)
122647-32-9

$$$$
LORELCO (probucol).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (858)
1478

>  <Formula> (858)
C31H48O2S2

>  <MolWeight> (858)
516.84162

>  <Item Name> (858)
Probucol

>  <Catalog Number> (858)
S2119

>  <Synonyms> (858)
N/A

>  <Target> (858)
Others

>  <Form> (858)
Free Base

>  <URL> (858)
http://www.selleckchem.com/products/probucol.html

>  <CAS Number> (858)
23288-49-5

$$$$
Levosimendan.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (859)
1483

>  <Formula> (859)
C14H12N6O

>  <MolWeight> (859)
280.28468

>  <Item Name> (859)
Levosimendan

>  <Catalog Number> (859)
S2446

>  <Synonyms> (859)
N/A

>  <Target> (859)
Calcium Channel

>  <Form> (859)
Free Base

>  <URL> (859)
http://www.selleckchem.com/products/levosimendan.html

>  <CAS Number> (859)
141505-33-1

$$$$
CAPEX (fluocinolone acetonide).cdx
csChFnd80/07171813022D

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    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> (860)
1484

>  <Formula> (860)
C24H30F2O6

>  <MolWeight> (860)
452.4882064

>  <Item Name> (860)
Fluocinolone acetonide (Flucort-N)

>  <Catalog Number> (860)
S2470

>  <Synonyms> (860)
Flucort-N

>  <Target> (860)
Glucocorticoid Receptor

>  <Form> (860)
Free Base

>  <URL> (860)
http://www.selleckchem.com/products/Fluocinolone-acetonide(Flucort-N).html

>  <CAS Number> (860)
67-73-2

$$$$
Phenoxybenzamine hydrochloride.cdx
csChFnd80/07171813022D

 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> (861)
1485

>  <Formula> (861)
C18H23Cl2NO

>  <MolWeight> (861)
340.28732

>  <Item Name> (861)
Phenoxybenzamine HCl

>  <Catalog Number> (861)
S2499

>  <Synonyms> (861)
N/A

>  <Target> (861)
Androgen Receptor

>  <Form> (861)
HCl

>  <URL> (861)
http://www.selleckchem.com/products/Phenoxybenzamine-hydrochloride.html

>  <CAS Number> (861)
63-92-3

$$$$
Propafenone.cdx
csChFnd80/07171813022D

 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> (862)
1486

>  <Formula> (862)
C21H27NO3

>  <MolWeight> (862)
341.44398

>  <Item Name> (862)
Propafenone HCl

>  <Catalog Number> (862)
S2500

>  <Synonyms> (862)
Rythmol SR, Rytmonorm

>  <Target> (862)
Sodium Channel

>  <Form> (862)
Hydrochloride

>  <URL> (862)
http://www.selleckchem.com/products/Propafenone(Rytmonorm).html

>  <CAS Number> (862)
34183-22-7

$$$$
Roxithromycin.cdx
csChFnd80/07171813022D

 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
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    7.2620   14.9844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
   15.7423    8.6904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   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
  2  3  1  0  0  0  0
  1  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 13  1  0  0  0  0
  4 12  1  0  0  0  0
  3  9  1  0  0  0  0
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 10 11  1  0  0  0  0
  5 11  1  0  0  0  0
 14 12  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 36  1  0  0  0  0
 40 47  1  6  0  0  0
 38 48  1  6  0  0  0
 43 49  1  6  0  0  0
  7 50  1  1  0  0  0
 37 51  1  1  0  0  0
 48 52  1  0  0  0  0
 48 53  1  0  0  0  0
 45 54  1  0  0  0  0
 45 55  1  1  0  0  0
 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> (863)
1487

>  <Formula> (863)
C41H76N2O15

>  <MolWeight> (863)
837.04654

>  <Item Name> (863)
Roxithromycin (Roxl-150)

>  <Catalog Number> (863)
S2506

>  <Synonyms> (863)
Roxl-150, Roxo, Surlid, Rulide, Biaxsig, Roxar, Roximycin, Roxomycin, Tirabicin, Coroxin

>  <Target> (863)
Antifection

>  <Form> (863)
Free Base

>  <URL> (863)
http://www.selleckchem.com/products/Roxithromycin(Roxl-150).html

>  <CAS Number> (863)
80214-83-1

$$$$
Tenoxicam.cdx
csChFnd80/07171813022D

 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
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    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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    7.9620    0.0000    0.0000 O   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
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  1  2  2  0  0  0  0
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 22 14  1  0  0  0  0
M  END
>  <Mol_ID> (864)
1488

>  <Formula> (864)
C13H11N3O4S2

>  <MolWeight> (864)
337.37414

>  <Item Name> (864)
Tenoxicam(Mobiflex)

>  <Catalog Number> (864)
S2512

>  <Synonyms> (864)
Mobiflex

>  <Target> (864)
COX

>  <Form> (864)
Free Base

>  <URL> (864)
http://www.selleckchem.com/products/Tenoxicam(Mobiflex).html

>  <CAS Number> (864)
59804-37-4

$$$$
Tobramycin.cdx
csChFnd80/07171813022D

 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
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  1  2  1  0  0  0  0
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  6  1  1  0  0  0  0
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 13  8  1  0  0  0  0
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 18 19  1  0  0  0  0
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  6 21  1  1  0  0  0
  2 22  1  1  0  0  0
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 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
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 11 29  1  6  0  0  0
 13 30  1  6  0  0  0
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 18 32  1  6  0  0  0
 25 33  1  0  0  0  0
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M  END
>  <Mol_ID> (865)
1489

>  <Formula> (865)
C18H37N5O9

>  <MolWeight> (865)
467.51448

>  <Item Name> (865)
Tobramycin

>  <Catalog Number> (865)
S2514

>  <Synonyms> (865)
N/A

>  <Target> (865)
Antifection

>  <Form> (865)
Free Base

>  <URL> (865)
http://www.selleckchem.com/products/Tobramycin(free-base).html

>  <CAS Number> (865)
32986-56-4

$$$$
Sulbactam sodium.cdx
csChFnd80/07171813022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    0.9865    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    1.7849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3865    3.1849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7180    3.6175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    4.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7533    1.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3865    0.3849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3556    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7079    4.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.2451    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.1728   10.6403    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.3469    5.9551    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  2  0  0  0  0
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  6 10  1  0  0  0  0
  3 11  1  1  0  0  0
  5 12  2  0  0  0  0
  5 13  2  0  0  0  0
  7 14  1  6  0  0  0
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 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (866)
1490

>  <Formula> (866)
C8H10NNaO5S

>  <MolWeight> (866)
255.22347

>  <Item Name> (866)
Sulbactam sodium (Unasyn)

>  <Catalog Number> (866)
S2551

>  <Synonyms> (866)
N/A

>  <Target> (866)
Antifection

>  <Form> (866)
Sodium  salt

>  <URL> (866)
http://www.selleckchem.com/products/sulbactam-sodium-unasyn.html

>  <CAS Number> (866)
69388-84-7

$$$$
Vancomycin hydrochloride.cdx
csChFnd80/07171813022D

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
    1.2082   16.6736    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4207   15.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   16.6736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331   18.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   18.7736    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   18.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   19.9861    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   15.9761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413   14.5761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6289   13.8761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   16.9370   16.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7245    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9328    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8790    3.4927    0.0000 N   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> (867)
1491

>  <Formula> (867)
C66H76Cl3N9O24

>  <MolWeight> (867)
1485.71454

>  <Item Name> (867)
Vancomycin HCl (Vancocin)

>  <Catalog Number> (867)
S2575

>  <Synonyms> (867)
N/A

>  <Target> (867)
Antifection

>  <Form> (867)
HCl

>  <URL> (867)
http://www.selleckchem.com/products/vancomycin-hydrochloride-vancocin.html

>  <CAS Number> (867)
1404-93-9 

$$$$
Xylometazoline hydrochloride.cdx
csChFnd80/07171813022D

 19 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (868)
1492

>  <Formula> (868)
C16H25ClN2

>  <MolWeight> (868)
280.8361

>  <Item Name> (868)
Xylometazoline HCl

>  <Catalog Number> (868)
S2576

>  <Synonyms> (868)
N/A

>  <Target> (868)
Adrenergic Receptor

>  <Form> (868)
HCl

>  <URL> (868)
http://www.selleckchem.com/products/xylometazoline-hcl.html

>  <CAS Number> (868)
1218-35-5

$$$$
ARC029(Nilvadipine).cdx
csChFnd80/07171813022D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (869)
1494

>  <Formula> (869)
C19H19N3O6

>  <MolWeight> (869)
385.37066

>  <Item Name> (869)
Nilvadipine (ARC029)

>  <Catalog Number> (869)
S2721

>  <Synonyms> (869)
N/A

>  <Target> (869)
Calcium Channel

>  <Form> (869)
Free Base

>  <URL> (869)
http://www.selleckchem.com/products/nilvadipine-arc029.html

>  <CAS Number> (869)
75530-68-6

$$$$
Carbazochrome sodium sulfonate.cdx
csChFnd80/07171813022D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (870)
1495

>  <Formula> (870)
C10H11N4NaO5S

>  <MolWeight> (870)
322.27291

>  <Item Name> (870)
Carbazochrome sodium sulfonate

>  <Catalog Number> (870)
S3000

>  <Synonyms> (870)
N/A

>  <Target> (870)
Others

>  <Form> (870)
Sodium

>  <URL> (870)
http://www.selleckchem.com/products/carbazochrome-sodium-sulfonate.html

>  <CAS Number> (870)
51460-26-5

$$$$
Clevudine.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (871)
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>  <Formula> (871)
C10H13FN2O5

>  <MolWeight> (871)
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>  <Item Name> (871)
Clevudine (Levovir)

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S3001

>  <Synonyms> (871)
N/A

>  <Target> (871)
Others

>  <Form> (871)
Free Base

>  <URL> (871)
http://www.selleckchem.com/products/clevudine-levovir.html

>  <CAS Number> (871)
163252-36-6

$$$$
RELENZA (zanamivir).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (872)
1497

>  <Formula> (872)
C12H20N4O7

>  <MolWeight> (872)
332.3098

>  <Item Name> (872)
Zanamivir (Relenza)

>  <Catalog Number> (872)
S3007

>  <Synonyms> (872)
139110-80-8

>  <Target> (872)
Antifection

>  <Form> (872)
Free Base

>  <URL> (872)
http://www.selleckchem.com/products/zanamivir-relenza.html

>  <CAS Number> (872)
139110-80-8

$$$$
Zaltoprofen.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (873)
1498

>  <Formula> (873)
C17H14O3S

>  <MolWeight> (873)
298.35626

>  <Item Name> (873)
Zaltoprofen

>  <Catalog Number> (873)
S3008

>  <Synonyms> (873)
N/A

>  <Target> (873)
COX

>  <Form> (873)
Free Base

>  <URL> (873)
http://www.selleckchem.com/products/zaltoprofen.html

>  <CAS Number> (873)
74711-43-6

$$$$
Pazopanib.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (874)
1499

>  <Formula> (874)
C21H23N7O2S

>  <MolWeight> (874)
437.51802

>  <Item Name> (874)
Pazopanib

>  <Catalog Number> (874)
S3012

>  <Synonyms> (874)
N/A

>  <Target> (874)
VEGFR

>  <Form> (874)
Free Base

>  <URL> (874)
http://www.selleckchem.com/products/pazopanib.html

>  <CAS Number> (874)
444731-52-6

$$$$
amoxicillin.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (875)
1500

>  <Formula> (875)
C16H19N3O5S

>  <MolWeight> (875)
365.40416

>  <Item Name> (875)
Amoxicillin (Amoxycillin)

>  <Catalog Number> (875)
S3015

>  <Synonyms> (875)
N/A

>  <Target> (875)
Antifection

>  <Form> (875)
Free Base

>  <URL> (875)
http://www.selleckchem.com/products/amoxicillin-amoxycillin.html

>  <CAS Number> (875)
26787-78-0

$$$$
aspirin.cdx
csChFnd80/07171813022D

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  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  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
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (876)
1501

>  <Formula> (876)
C9H8O4

>  <MolWeight> (876)
180.15742

>  <Item Name> (876)
Aspirin (Acetylsalicylic acid)

>  <Catalog Number> (876)
S3017

>  <Synonyms> (876)
N/A

>  <Target> (876)
COX

>  <Form> (876)
Free Base

>  <URL> (876)
http://www.selleckchem.com/products/aspirin-acetylsalicylic-acid.html

>  <CAS Number> (876)
50-78-2

$$$$
Niflumic acid.cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.5000    2.4249    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
    1.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1876    4.3373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6124    2.9373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  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
 10 11  1  0  0  0  0
  1 10  1  0  0  0  0
M  END
>  <Mol_ID> (877)
1502

>  <Formula> (877)
C13H9F3N2O2

>  <MolWeight> (877)
282.2179696

>  <Item Name> (877)
Niflumic acid

>  <Catalog Number> (877)
S3018

>  <Synonyms> (877)
N/A

>  <Target> (877)
GABA Receptor

>  <Form> (877)
Free Base

>  <URL> (877)
http://www.selleckchem.com/products/niflumic-acid.html

>  <CAS Number> (877)
4394-00-7

$$$$
AGENERASE (amprenavir).cdx
csChFnd80/07171813022D

 35 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  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    5.4027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    2.9778    0.0000 O   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
    6.0538    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6784    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8867    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2854    0.0000 O   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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.1000    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
    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
   14.5114    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6577    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0271    2.5093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7271    3.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7903    4.7621    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
  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
 12 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  1  1  0  0  0
 18 24  1  1  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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  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 31  1  0  0  0  0
 31 21  1  1  0  0  0
M  END
>  <Mol_ID> (878)
1505

>  <Formula> (878)
C25H35N3O6S

>  <MolWeight> (878)
505.6269

>  <Item Name> (878)
Amprenavir (Agenerase)

>  <Catalog Number> (878)
S1639

>  <Synonyms> (878)
Agenerase

>  <Target> (878)
HIV Protease

>  <Form> (878)
Free Base

>  <URL> (878)
http://www.selleckchem.com/products/Amprenavir-(Agenerase).html

>  <CAS Number> (878)
161814-49-9

$$$$
PREZISTA (darunavir ethanolate).cdx
csChFnd80/07171813022D

 46 48  0  0  0  0  0  0  0  0999 V2000
    2.1544    6.0278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1544    4.6278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4859    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3088    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    6.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    6.4604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    7.4229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    3.2326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4859    2.7951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6983    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1147    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9065    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0230    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6230    5.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5354    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6606    6.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6506    7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2882    9.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9359    9.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9460    8.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3083    7.1198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7478    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9603    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9603    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5438    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5455    2.5028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5254    2.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1727    4.1927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3852    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3852    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5976    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8100    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8100    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5976    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0183    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1627    5.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1828    5.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1804    3.9423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3928    4.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  0  0  0  0
  1  9  1  1  0  0  0
  2 10  1  1  0  0  0
  3 11  1  1  0  0  0
  3 12  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  6  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 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
 29 31  1  0  0  0  0
 19 32  1  6  0  0  0
 19 33  1  1  0  0  0
 27 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
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 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 38 41  1  0  0  0  0
 34 42  2  0  0  0  0
 34 43  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
M  END
>  <Mol_ID> (879)
1506

>  <Formula> (879)
C29H43N3O8S

>  <MolWeight> (879)
593.73202

>  <Item Name> (879)
Darunavir Ethanolate (Prezista)

>  <Catalog Number> (879)
S1620

>  <Synonyms> (879)
Prezista, TMC114

>  <Target> (879)
HIV Protease

>  <Form> (879)
Ethanolate

>  <URL> (879)
http://www.selleckchem.com/products/Darunavir-Ethanolate(Prezista).html

>  <CAS Number> (879)
635728-49-3

$$$$
Proparacaine hydrochloride.cdx
csChFnd80/07171813022D

 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
    4.8497    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    4.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5098    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
    8.4955    4.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4955    5.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.3146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    3.6146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3452    5.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2707    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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (880)
1507

>  <Formula> (880)
C16H27ClN2O3

>  <MolWeight> (880)
330.85018

>  <Item Name> (880)
Proparacaine HCl

>  <Catalog Number> (880)
S1828

>  <Synonyms> (880)
N/A

>  <Target> (880)
Sodium Channel

>  <Form> (880)
Hydrochloride

>  <URL> (880)
http://www.selleckchem.com/products/proparacaine-hcl.html

>  <CAS Number> (880)
5875-06-9

$$$$
S.A.S.-500 (sulfasalazine).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (881)
1508

>  <Formula> (881)
C18H14N4O5S

>  <MolWeight> (881)
398.39256

>  <Item Name> (881)
Sulfasalazine (Azulfidine)

>  <Catalog Number> (881)
S1576

>  <Synonyms> (881)
Azulfidine, Salazopyrin, Sulphasalazine

>  <Target> (881)
COX,NF-¦ÊB

>  <Form> (881)
Free Base

>  <URL> (881)
http://www.selleckchem.com/products/Sulfasalazine(Azulfidine).html

>  <CAS Number> (881)
599-79-1

$$$$
SULFAPYRIDINE (sulfapyridine).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (882)
1510

>  <Formula> (882)
C11H11N3O2S

>  <MolWeight> (882)
249.28894

>  <Item Name> (882)
Sulfapyridine (Dagenan)

>  <Catalog Number> (882)
S1617

>  <Synonyms> (882)
Coccoclase, Eubasin, Eubasinum, Haptocil

>  <Target> (882)
Antifection

>  <Form> (882)
Free Base

>  <URL> (882)
http://www.selleckchem.com/products/Sulfapyridine(Dagenan).html

>  <CAS Number> (882)
144-83-2

$$$$
ACY-1215.cdx
csChFnd80/07171813022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (883)
1513

>  <Formula> (883)
C24H27N5O3

>  <MolWeight> (883)
433.50288

>  <Item Name> (883)
ACY-1215

>  <Catalog Number> (883)
S8001

>  <Synonyms> (883)
N/A

>  <Target> (883)
HDAC

>  <Form> (883)
Free Base

>  <URL> (883)
http://www.selleckchem.com/products/rocilinostat-acy-1215.html

>  <CAS Number> (883)
1316214-52-4

$$$$
LY 2484595.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (884)
1514

>  <Formula> (884)
C31H36F6N6O2

>  <MolWeight> (884)
638.6469592

>  <Item Name> (884)
Evacetrapib (LY2484595)

>  <Catalog Number> (884)
S2925

>  <Synonyms> (884)
N/A

>  <Target> (884)
CETP

>  <Form> (884)
Free Base

>  <URL> (884)
http://www.selleckchem.com/products/evacetrapib-ly2484595.html

>  <CAS Number> (884)
1186486-62-3

$$$$

csChFnd80/07171813022D

 31 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (885)
1525

>  <Formula> (885)
C22H23ClKN6O

>  <MolWeight> (885)
462.00892

>  <Item Name> (885)
Losartan potassium

>  <Catalog Number> (885)
S1359

>  <Synonyms> (885)
Cozaar

>  <Target> (885)
RAAS

>  <Form> (885)
Potassium salt

>  <URL> (885)
http://www.selleckchem.com/products/losartan-potassium.html

>  <CAS Number> (885)
124750-99-8

$$$$
ZAGAM (sparfloxacin).cdx
csChFnd80/07171813022D

 28 31  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
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M  END
>  <Mol_ID> (886)
1526

>  <Formula> (886)
C19H22F2N4O3

>  <MolWeight> (886)
392.3997864

>  <Item Name> (886)
Sparfloxacin

>  <Catalog Number> (886)
S1884

>  <Synonyms> (886)
N/A

>  <Target> (886)
Antifection

>  <Form> (886)
Free Base

>  <URL> (886)
http://www.selleckchem.com/products/sparfloxacin.html

>  <CAS Number> (886)
110871-86-8

$$$$
Tolnaftate.cdx
csChFnd80/07171813022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  5  1  0  0  0  0
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M  END
>  <Mol_ID> (887)
1527

>  <Formula> (887)
C19H17NOS

>  <MolWeight> (887)
307.40938

>  <Item Name> (887)
Tolnaftate

>  <Catalog Number> (887)
S2058

>  <Synonyms> (887)
N/A

>  <Target> (887)
Antifection

>  <Form> (887)
Free Base

>  <URL> (887)
http://www.selleckchem.com/products/tolnaftate.html

>  <CAS Number> (887)
2398-96-1

$$$$
Ozagrel hydrochloride.cdx
csChFnd80/07171813022D

 18 18  0  0  0  0  0  0  0  0999 V2000
    4.6322    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2653    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4735    4.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6818    6.3510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (888)
1528

>  <Formula> (888)
C13H13ClN2O2

>  <MolWeight> (888)
264.70752

>  <Item Name> (888)
Ozagrel HCl 

>  <Catalog Number> (888)
S2067

>  <Synonyms> (888)
N/A

>  <Target> (888)
P450 (e.g. CYP17)

>  <Form> (888)
HCl 

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

>  <CAS Number> (888)
78712-43-3

$$$$
Arecoline hydrobromide.cdx
csChFnd80/07171813022D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0496    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (889)
1529

>  <Formula> (889)
C8H14BrNO2

>  <MolWeight> (889)
236.10626

>  <Item Name> (889)
Arecoline HBr

>  <Catalog Number> (889)
S2614

>  <Synonyms> (889)
N/A

>  <Target> (889)
AChR

>  <Form> (889)
HBr

>  <URL> (889)
http://www.selleckchem.com/products/arecoline.html

>  <CAS Number> (889)
300-08-3 

$$$$
OSI-906.cdx
csChFnd80/07171813022D

 32 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (890)
1533

>  <Formula> (890)
C26H23N5O

>  <MolWeight> (890)
421.49372

>  <Item Name> (890)
OSI-906 (Linsitinib)

>  <Catalog Number> (890)
S1091

>  <Synonyms> (890)
N/A

>  <Target> (890)
IGF-1R

>  <Form> (890)
Free Base

>  <URL> (890)
http://www.selleckchem.com/products/OSI-906.html

>  <CAS Number> (890)
867160-71-2

$$$$
aicar.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (891)
1534

>  <Formula> (891)
C9H14N4O5

>  <MolWeight> (891)
258.23126

>  <Item Name> (891)
AICAR (Acadesine)

>  <Catalog Number> (891)
S1802

>  <Synonyms> (891)
AICAR, AICA-riboside

>  <Target> (891)
AMPK

>  <Form> (891)
Free Base

>  <URL> (891)
http://www.selleckchem.com/products/Acadesine.html

>  <CAS Number> (891)
2627-69-2

$$$$
Cobicistat (GS-9350).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (892)
1536

>  <Formula> (892)
C40H53N7O5S2

>  <MolWeight> (892)
776.02272

>  <Item Name> (892)
Cobicistat (GS-9350)

>  <Catalog Number> (892)
S2900

>  <Synonyms> (892)
N/A

>  <Target> (892)
P450 (e.g. CYP17)

>  <Form> (892)
Free Base

>  <URL> (892)
http://www.selleckchem.com/products/cobicistat-gs-9350.html

>  <CAS Number> (892)
1004316-88-4

$$$$
CP 945598 hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (893)
1537

>  <Formula> (893)
C25H26Cl3N7O

>  <MolWeight> (893)
546.87924

>  <Item Name> (893)
CP-945598 HCl

>  <Catalog Number> (893)
S8012

>  <Synonyms> (893)
N/A

>  <Target> (893)
Cannabinoid Receptor

>  <Form> (893)
Hydrochloride

>  <URL> (893)
http://www.selleckchem.com/products/cp-945598-hcl.html

>  <CAS Number> (893)
686347-12-6

$$$$
TAK-438.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (894)
1540

>  <Formula> (894)
C21H20FN3O6S

>  <MolWeight> (894)
461.4634032

>  <Item Name> (894)
Vonoprazan Fumarate (TAK-438)

>  <Catalog Number> (894)
S8016

>  <Synonyms> (894)
N/A

>  <Target> (894)
Potassium Channel

>  <Form> (894)
Fumarate

>  <URL> (894)
http://www.selleckchem.com/products/tak-438.html

>  <CAS Number> (894)
1260141-27-2

$$$$
Pergolide mesylate salt.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (895)
1541

>  <Formula> (895)
C20H30N2O3S2

>  <MolWeight> (895)
410.5938

>  <Item Name> (895)
Pergolide mesylate

>  <Catalog Number> (895)
S4000

>  <Synonyms> (895)
N/A

>  <Target> (895)
Dopamine Receptor

>  <Form> (895)
Mesylate

>  <URL> (895)
http://www.selleckchem.com/products/Pergolide-mesylate.html

>  <CAS Number> (895)
66104-23-2

$$$$
Lu AA21004(vortioxetine).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (896)
1543

>  <Formula> (896)
C18H23BrN2S

>  <MolWeight> (896)
379.35762

>  <Item Name> (896)
Vortioxetine (Lu AA21004) hydrobromide

>  <Catalog Number> (896)
S8021

>  <Synonyms> (896)
N/A

>  <Target> (896)
5-HT Receptor

>  <Form> (896)
Hydrobromide

>  <URL> (896)
http://www.selleckchem.com/products/vortioxetine-lu-aa21004-hydrobromide.html

>  <CAS Number> (896)
960203-27-4

$$$$
Plerixafor.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (897)
1549

>  <Formula> (897)
C28H54N8

>  <MolWeight> (897)
502.78196

>  <Item Name> (897)
Plerixafor

>  <Catalog Number> (897)
S8030

>  <Synonyms> (897)
N/A

>  <Target> (897)
CXCR

>  <Form> (897)
Free Base

>  <URL> (897)
http://www.selleckchem.com/products/plerixafor.html

>  <CAS Number> (897)
110078-46-1

$$$$
Cabozantinib£¨XL-184) malate.cdx
csChFnd80/07171813022D

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    7.2662    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    3.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    3.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.0100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5735    4.0076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.6158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8057    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0181    8.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2264    6.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4346    8.2609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 27 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
 24 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 24  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  1  0  0  0
 40 42  1  0  0  0  0
 38 43  2  0  0  0  0
 38 44  1  0  0  0  0
 42 45  2  0  0  0  0
 42 46  1  0  0  0  0
M  END
>  <Mol_ID> (898)
1550

>  <Formula> (898)
C32H30FN3O10

>  <MolWeight> (898)
635.5931032

>  <Item Name> (898)
Cabozantinib malate

>  <Catalog Number> (898)
S4001

>  <Synonyms> (898)
N/A

>  <Target> (898)
VEGFR

>  <Form> (898)
Malate

>  <URL> (898)
http://www.selleckchem.com/products/cabozantinib-malate.html

>  <CAS Number> (898)
1140909-48-3

$$$$
Clindamycin.cdx
csChFnd80/07171813022D

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    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
    3.6331    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8455    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.6944    3.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6250    4.1899    0.0000 C   0  0  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
    0.0000    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5618    5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    0.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9493    5.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5168    7.1759    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  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  6  0  0  0
 15 13  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
  2 20  1  6  0  0  0
  1 21  1  1  0  0  0
  6 22  1  1  0  0  0
 18 23  1  1  0  0  0
 22 24  1  0  0  0  0
 16 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (899)
1553

>  <Formula> (899)
C18H33ClN2O5S

>  <MolWeight> (899)
424.98302

>  <Item Name> (899)
Clindamycin

>  <Catalog Number> (899)
S2830

>  <Synonyms> (899)
N/A

>  <Target> (899)
Others

>  <Form> (899)
Free Base

>  <URL> (899)
http://www.selleckchem.com/products/clindamycin.html

>  <CAS Number> (899)
18323-44-9

$$$$
PF-05208749.cdx
csChFnd80/07171813022D

 36 39  0  0  0  0  0  0  0  0999 V2000
   10.9625    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1376    7.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3606    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1376    9.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8040    7.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5706    5.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0510    7.0080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8040    8.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1510    8.2249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5218    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1531    1.1350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    0.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2925    2.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566    3.2996    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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  7 13  1  0  0  0  0
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 11 16  1  0  0  0  0
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 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
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 31 33  1  0  0  0  0
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 33 35  1  0  0  0  0
  5  9  1  0  0  0  0
 14 19  1  0  0  0  0
 16 20  2  0  0  0  0
 22 25  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
>  <Mol_ID> (900)
1555

>  <Formula> (900)
C30H35ClN2O3

>  <MolWeight> (900)
507.0635

>  <Item Name> (900)
Bazedoxifene HCl

>  <Catalog Number> (900)
S2128

>  <Synonyms> (900)
PF-05208749 HCl

>  <Target> (900)
Estrogen/progestin receptor

>  <Form> (900)
Hydrochloride

>  <URL> (900)
http://www.selleckchem.com/products/bazedoxifene-hcl.html

>  <CAS Number> (900)
198480-56-7

$$$$
acebutolol hydrochloride.cdx
csChFnd80/07171813022D

 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
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    6.0622    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.5240    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  6 10  1  0  0  0  0
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  8 12  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (901)
1558

>  <Formula> (901)
C18H29ClN2O4

>  <MolWeight> (901)
372.88686

>  <Item Name> (901)
Acebutolol HCl

>  <Catalog Number> (901)
S4010

>  <Synonyms> (901)
N/A

>  <Target> (901)
Adrenergic Receptor

>  <Form> (901)
Hydrochloride

>  <URL> (901)
http://www.selleckchem.com/products/acebutolol-hcl.html

>  <CAS Number> (901)
34381-68-5

$$$$
Ampiroxicam.cdx
csChFnd80/07171813022D

 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
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   10.9083    7.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  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
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 27  2  0  0  0  0
 24 28  1  0  0  0  0
 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> (902)
1559

>  <Formula> (902)
C20H21N3O7S

>  <MolWeight> (902)
447.46164

>  <Item Name> (902)
Ampiroxicam

>  <Catalog Number> (902)
S4011

>  <Synonyms> (902)
N/A

>  <Target> (902)
COX

>  <Form> (902)
Free Base

>  <URL> (902)
http://www.selleckchem.com/products/ampiroxicam.html

>  <CAS Number> (902)
99464-64-9

$$$$
Lithocholic acid.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2613    3.4686    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0464    2.7869    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2776    4.8703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5749    3.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    3.4905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0464    1.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5915    5.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0793    5.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3830    4.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    2.7869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8645    4.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8482    0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0587    6.6400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6333    1.3796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4131    3.4905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    4.1721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4273    6.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1296    7.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2201    2.7869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3124    5.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201    1.3796    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6864    6.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5770    5.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1646    7.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0629    4.1886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8317    2.0890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6333    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 27  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 28  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 31  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 29  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  1  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  1  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  6  0  0  0
 14 19  1  0  0  0  0
 14 30  1  1  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  6  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (903)
1562

>  <Formula> (903)
C24H40O3

>  <MolWeight> (903)
376.5726

>  <Item Name> (903)
Lithocholic acid

>  <Catalog Number> (903)
S4003

>  <Synonyms> (903)
N/A

>  <Target> (903)
FXR

>  <Form> (903)
Free Base

>  <URL> (903)
http://www.selleckchem.com/products/lithocholic-acid.html

>  <CAS Number> (903)
434-13-9

$$$$
Mirabegron.cdx
csChFnd80/07171813022D

 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
   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
    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
    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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    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
    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 21  1  0  0  0  0
 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> (904)
1563

>  <Formula> (904)
C21H24N4O2S

>  <MolWeight> (904)
396.50586

>  <Item Name> (904)
Mirabegron (YM178)

>  <Catalog Number> (904)
S4009

>  <Synonyms> (904)
N/A

>  <Target> (904)
Adrenergic Receptor

>  <Form> (904)
Free Base

>  <URL> (904)
http://www.selleckchem.com/products/mirabegron-ym178.html

>  <CAS Number> (904)
223673-61-8

$$$$
Pemirolast potassium.cdx
csChFnd80/07171813022D

 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
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    1.2130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  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> (905)
1565

>  <Formula> (905)
C10H7KN6O

>  <MolWeight> (905)
266.30048

>  <Item Name> (905)
Pemirolast (BMY 26517) potassium

>  <Catalog Number> (905)
S4008

>  <Synonyms> (905)
TWT-8152

>  <Target> (905)
Histamine Receptor

>  <Form> (905)
Potassium

>  <URL> (905)
http://www.selleckchem.com/products/pemirolast-bmy-26517-potassium.html

>  <CAS Number> (905)
100299-08-9

$$$$
Allylthiourea.cdx
csChFnd80/07171813022D

  7  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    0.0000    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  7  2  0  0  0  0
M  END
>  <Mol_ID> (906)
1566

>  <Formula> (906)
C4H8N2S

>  <MolWeight> (906)
116.18472

>  <Item Name> (906)
Allylthiourea

>  <Catalog Number> (906)
S4017

>  <Synonyms> (906)
N/A

>  <Target> (906)
Others

>  <Form> (906)
Free Base

>  <URL> (906)
http://www.selleckchem.com/products/allylthiourea.html

>  <CAS Number> (906)
109-57-9

$$$$
Hyoscyamine (L).cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (907)
1568

>  <Formula> (907)
C17H23NO3

>  <MolWeight> (907)
289.36942

>  <Item Name> (907)
Hyoscyamine (Daturine)

>  <Catalog Number> (907)
S4014

>  <Synonyms> (907)
N/A

>  <Target> (907)
AChR

>  <Form> (907)
Free Base

>  <URL> (907)
http://www.selleckchem.com/products/hyoscyamine-daturine.html

>  <CAS Number> (907)
101-31-5

$$$$
IPI-145.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (908)
1569

>  <Formula> (908)
C22H17ClN6O

>  <MolWeight> (908)
416.86298

>  <Item Name> (908)
Duvelisib (IPI-145, INK1197)

>  <Catalog Number> (908)
S7028

>  <Synonyms> (908)
N/A

>  <Target> (908)
PI3K

>  <Form> (908)
Free Base

>  <URL> (908)
http://www.selleckchem.com/products/ipi-145-ink1197.html

>  <CAS Number> (908)
1201438-56-3

$$$$
Avanafil.cdx
csChFnd80/07171813022D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (909)
1574

>  <Formula> (909)
C23H26ClN7O3

>  <MolWeight> (909)
483.95064

>  <Item Name> (909)
Avanafil

>  <Catalog Number> (909)
S4019

>  <Synonyms> (909)
N/A

>  <Target> (909)
PDE

>  <Form> (909)
Free Base

>  <URL> (909)
http://www.selleckchem.com/products/avanafil.html

>  <CAS Number> (909)
330784-47-9

$$$$
BENEMID (probenecid).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (910)
1576

>  <Formula> (910)
C13H19NO4S

>  <MolWeight> (910)
285.35926

>  <Item Name> (910)
Probenecid (Benemid) 

>  <Catalog Number> (910)
S4022

>  <Synonyms> (910)
Probalan

>  <Target> (910)
TRPV

>  <Form> (910)
Free Base

>  <URL> (910)
http://www.selleckchem.com/products/probenecid-benemid.html

>  <CAS Number> (910)
57-66-9

$$$$
procaine hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (911)
1577

>  <Formula> (911)
C13H21ClN2O2

>  <MolWeight> (911)
272.77104

>  <Item Name> (911)
Procaine (Novocaine) HCl

>  <Catalog Number> (911)
S4023

>  <Synonyms> (911)
N/A

>  <Target> (911)
Sodium Channel

>  <Form> (911)
HCl

>  <URL> (911)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

>  <CAS Number> (911)
51-05-8

$$$$
Sodium picosulfate.cdx
csChFnd80/07171813022D

 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
    7.0481    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6854    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4729    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8356    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8978    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3227    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9859    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.0227    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6227    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5351    1.9124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.5122    3.4127    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4127    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  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  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  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  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
 20 22  1  0  0  0  0
 21 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  2  0  0  0  0
 23 28  2  0  0  0  0
 23 29  1  0  0  0  0
M  END
>  <Mol_ID> (912)
1580

>  <Formula> (912)
C18H13NNa2O8S2

>  <MolWeight> (912)
481.40726

>  <Item Name> (912)
Sodium Picosulfate

>  <Catalog Number> (912)
S4020

>  <Synonyms> (912)
Sodium Picosulphate

>  <Target> (912)
Others

>  <Form> (912)
Sodium Salt

>  <URL> (912)
http://www.selleckchem.com/products/sodium-picosulfate.html

>  <CAS Number> (912)
10040-45-6

$$$$
Tolcapone.cdx
csChFnd80/07171813022D

 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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
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  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
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 14 19  2  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (913)
1581

>  <Formula> (913)
C14H11NO5

>  <MolWeight> (913)
273.24084

>  <Item Name> (913)
Tolcapone

>  <Catalog Number> (913)
S4021

>  <Synonyms> (913)
N/A

>  <Target> (913)
Transferase

>  <Form> (913)
Free Base

>  <URL> (913)
http://www.selleckchem.com/products/tolcapone.html

>  <CAS Number> (913)
134308-13-7

$$$$
methazolamide.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    4.9448    1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8042    0.9534    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5055    3.1395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2764    1.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545    1.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0880    3.1395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3229    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    2.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    1.3272    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.6187    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    3.6837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8818    2.6545    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
  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  6  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  2  0  0  0  0
M  END
>  <Mol_ID> (914)
1584

>  <Formula> (914)
C5H8N4O3S2

>  <MolWeight> (914)
236.27202

>  <Item Name> (914)
Methazolamide

>  <Catalog Number> (914)
S4039

>  <Synonyms> (914)
N/A

>  <Target> (914)
Carbonic Anhydrase

>  <Form> (914)
Free Base

>  <URL> (914)
http://www.selleckchem.com/products/methazolamide.html

>  <CAS Number> (914)
554-57-4

$$$$
Nabumetone.cdx
csChFnd80/07171813022D

 17 18  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
    2.8000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    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
    2.8000    2.4249    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
    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    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
  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
 13 15  2  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (915)
1589

>  <Formula> (915)
C15H16O2

>  <MolWeight> (915)
228.28634

>  <Item Name> (915)
Nabumetone

>  <Catalog Number> (915)
S4051

>  <Synonyms> (915)
Arthaxan, Relafen

>  <Target> (915)
COX

>  <Form> (915)
Free Base

>  <URL> (915)
http://www.selleckchem.com/products/nabumetone.html

>  <CAS Number> (915)
42924-53-8

$$$$
netilmicin sulfate.cdx
csChFnd80/07171813022D

 91 90  0  0  0  0  0  0  0  0999 V2000
    4.0125   20.3350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9582   18.9312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1468   18.1823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3897   18.8372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4440   20.2411    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2553   20.9900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6825   20.8937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0927   16.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742   18.0909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094   22.3889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196   18.2786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   19.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966   18.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8670   20.1474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8140   18.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0014   17.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2443   18.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1654   22.2012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6871   11.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6110   15.7082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7573   10.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6697    6.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7573    6.5619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.9037    1.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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1590

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Netilmicin Sulfate

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S4052

>  <Synonyms> (916)
N/A

>  <Target> (916)
Antifection

>  <Form> (916)
Sulfate

>  <URL> (916)
http://www.selleckchem.com/products/netilmicin-sulfate.html

>  <CAS Number> (916)
7664-93-9

$$$$
sertraline hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (917)
1591

>  <Formula> (917)
C17H18Cl3N

>  <MolWeight> (917)
342.69052

>  <Item Name> (917)
Sertraline HCl

>  <Catalog Number> (917)
S4053

>  <Synonyms> (917)
N/A

>  <Target> (917)
5-HT Receptor

>  <Form> (917)
HCl

>  <URL> (917)
http://www.selleckchem.com/products/sertraline-hcl.html

>  <CAS Number> (917)
79559-97-0

$$$$
ABT-199.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (918)
1592

>  <Formula> (918)
C45H50ClN7O7S

>  <MolWeight> (918)
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>  <Item Name> (918)
Venetoclax (ABT-199, GDC-0199)

>  <Catalog Number> (918)
S8048

>  <Synonyms> (918)
N/A

>  <Target> (918)
Bcl-2

>  <Form> (918)
Free Base

>  <URL> (918)
http://www.selleckchem.com/products/abt-199.html

>  <CAS Number> (918)
1257044-40-8

$$$$
Birinapant (TL32711).cdx
csChFnd80/07171813022D

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N/A

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Caspase

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http://www.selleckchem.com/products/birinapant-tl32711.html

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1260251-31-7

$$$$
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Apremilast (CC-10004)

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N/A

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PDE

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Free Base

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http://www.selleckchem.com/products/apremilast-cc-10004.html

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608141-41-9

$$$$
methyclothiazide.cdx
csChFnd80/07171813022D

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Others

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Free Base

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

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135-07-9

$$$$
retapamulin.cdx
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   12.3771    1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4599    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7208    3.5767    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7876    4.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6015    6.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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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  1  7  1  0  0  0  0
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 18 15  1  6  0  0  0
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 26 27  1  0  0  0  0
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M  END
>  <Mol_ID> (922)
1602

>  <Formula> (922)
C30H47NO4S

>  <MolWeight> (922)
517.76348

>  <Item Name> (922)
Retapamulin

>  <Catalog Number> (922)
S4056

>  <Synonyms> (922)
N/A

>  <Target> (922)
Antifection

>  <Form> (922)
Free Base

>  <URL> (922)
http://www.selleckchem.com/products/retapamulin.html

>  <CAS Number> (922)
224452-66-8

$$$$
ronidazole.cdx
csChFnd80/07171813022D

 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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    3.7481    4.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    5.7959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7481    6.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2782    7.3245    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226    8.7170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2854    4.2676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1791    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1892    2.3422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5515    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9038    0.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5615    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  2  0  0  0  0
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  1  6  1  0  0  0  0
  2  9  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
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  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (923)
1603

>  <Formula> (923)
C6H8N4O4

>  <MolWeight> (923)
200.15212

>  <Item Name> (923)
Ronidazole

>  <Catalog Number> (923)
S4062

>  <Synonyms> (923)
N/A

>  <Target> (923)
Antifection

>  <Form> (923)
Free Base

>  <URL> (923)
http://www.selleckchem.com/products/ronidazole.html

>  <CAS Number> (923)
7681-76-7

$$$$
ropivacaine hydrochloride.cdx
csChFnd80/07171813022D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8439    9.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6329    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 10  1  6  0  0  0
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 14 20  1  0  0  0  0
M  END
>  <Mol_ID> (924)
1604

>  <Formula> (924)
C17H27ClN2O

>  <MolWeight> (924)
310.86208

>  <Item Name> (924)
Ropivacaine HCl

>  <Catalog Number> (924)
S4058

>  <Synonyms> (924)
N/A

>  <Target> (924)
Sodium Channel

>  <Form> (924)
HCl

>  <URL> (924)
http://www.selleckchem.com/products/ropivacaine-hcl.html

>  <CAS Number> (924)
98717-15-8

$$$$
Vitamin D3.cdx
csChFnd80/07171813022D

 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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    3.6331    2.1000    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
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    8.3879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 10 11  1  0  0  0  0
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M  END
>  <Mol_ID> (925)
1605

>  <Formula> (925)
C27H44O

>  <MolWeight> (925)
384.63766

>  <Item Name> (925)
Vitamin D3 (Cholecalciferol)

>  <Catalog Number> (925)
S4063

>  <Synonyms> (925)
N/A

>  <Target> (925)
Vitamin

>  <Form> (925)
Free Base

>  <URL> (925)
http://www.selleckchem.com/products/vitamin-d3-cholecalciferol.html

>  <CAS Number> (925)
67-97-0

$$$$
Empagliflozin (BI10773).cdx
csChFnd80/07171813022D

 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
    1.2124    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (926)
1606

>  <Formula> (926)
C23H27ClO7

>  <MolWeight> (926)
450.90928

>  <Item Name> (926)
Empagliflozin (BI10773)

>  <Catalog Number> (926)
S8022

>  <Synonyms> (926)
N/A

>  <Target> (926)
SGLT

>  <Form> (926)
Free Base

>  <URL> (926)
http://www.selleckchem.com/products/empagliflozin-bi10773.html

>  <CAS Number> (926)
864070-44-0

$$$$
Nafcillin sodium monohydrate.cdx
csChFnd80/07171813022D

 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
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    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> (927)
1607

>  <Formula> (927)
C21H23N2NaO6S

>  <MolWeight> (927)
454.47189

>  <Item Name> (927)
Nafcillin Sodium

>  <Catalog Number> (927)
S4042

>  <Synonyms> (927)
N/A

>  <Target> (927)
Antifection

>  <Form> (927)
sodium Salt

>  <URL> (927)
http://www.selleckchem.com/products/nafcillin-sodium.html

>  <CAS Number> (927)
7177-50-6

$$$$
norethindrone.cdx
csChFnd80/07171813022D

 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
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    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> (928)
1608

>  <Formula> (928)
C20H26O2

>  <MolWeight> (928)
298.41924

>  <Item Name> (928)
Norethindrone (Norethisterone)

>  <Catalog Number> (928)
S4040

>  <Synonyms> (928)
N/A

>  <Target> (928)
Others

>  <Form> (928)
Free Base

>  <URL> (928)
http://www.selleckchem.com/products/norethindrone-norethisterone.html

>  <CAS Number> (928)
68-22-4

$$$$
olsalazine sodium.cdx
csChFnd80/07171813022D

 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> (929)
1609

>  <Formula> (929)
C14H8N2Na2O6

>  <MolWeight> (929)
346.20266

>  <Item Name> (929)
Olsalazine Sodium

>  <Catalog Number> (929)
S4041

>  <Synonyms> (929)
N/A

>  <Target> (929)
Antifection

>  <Form> (929)
Disodium Salt

>  <URL> (929)
http://www.selleckchem.com/products/olsalazine-sodium.html

>  <CAS Number> (929)
6054-98-4

$$$$
Tetrahydrozoline hydrochloride.cdx
csChFnd80/07171813022D

 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> (930)
1610

>  <Formula> (930)
C13H17ClN2

>  <MolWeight> (930)
236.74048

>  <Item Name> (930)
Tetrahydrozoline HCl

>  <Catalog Number> (930)
S4043

>  <Synonyms> (930)
N/A

>  <Target> (930)
Adrenergic Receptor

>  <Form> (930)
hydrochloride

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

>  <CAS Number> (930)
522-48-5

$$$$
Toltrazuril.cdx
csChFnd80/07171813022D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  8  2  0  0  0  0
  9  2  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  5 15  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 23 26  2  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
 25 29  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (931)
1611

>  <Formula> (931)
C18H14F3N3O4S

>  <MolWeight> (931)
425.3816696

>  <Item Name> (931)
Toltrazuril

>  <Catalog Number> (931)
S4044

>  <Synonyms> (931)
N/A

>  <Target> (931)
Antifection

>  <Form> (931)
Free Base

>  <URL> (931)
http://www.selleckchem.com/products/toltrazuril.html

>  <CAS Number> (931)
69004-03-1

$$$$
Dibucaine HCL.cdx
csChFnd80/07171813022D

 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
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   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
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  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  7 10  1  0  0  0  0
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 10 14  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (932)
1612

>  <Formula> (932)
C20H30ClN3O2

>  <MolWeight> (932)
379.9241

>  <Item Name> (932)
Dibucaine (Cinchocaine) HCl

>  <Catalog Number> (932)
S4038

>  <Synonyms> (932)
N/A

>  <Target> (932)
Sodium Channel

>  <Form> (932)
hydrochloride

>  <URL> (932)
http://www.selleckchem.com/products/dibucaine-cinchocaine-hcl.html

>  <CAS Number> (932)
61-12-1

$$$$
Diphemanil methylsulfate.cdx
csChFnd80/07171813022D

 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
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    0.0000    5.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  2  6  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  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
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 12 17  1  0  0  0  0
 13 18  2  0  0  0  0
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 17 20  1  0  0  0  0
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M  CFW   0 B_NG_STER 2
M  END
>  <Mol_ID> (933)
1613

>  <Formula> (933)
C21H27NO4S

>  <MolWeight> (933)
389.50838

>  <Item Name> (933)
Diphemanil Methylsulfate

>  <Catalog Number> (933)
S4034

>  <Synonyms> (933)
N/A

>  <Target> (933)
AChR

>  <Form> (933)
Methylsulfate

>  <URL> (933)
http://www.selleckchem.com/products/diphemanil-methylsulfate.html

>  <CAS Number> (933)
62-97-5

$$$$
Doxapram HCl.cdx
csChFnd80/07171813022D

 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
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    6.1963    3.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8693    6.1391    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  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> (934)
1614

>  <Formula> (934)
C24H33ClN2O3

>  <MolWeight> (934)
432.98342

>  <Item Name> (934)
Doxapram HCl

>  <Catalog Number> (934)
S4037

>  <Synonyms> (934)
N/A

>  <Target> (934)
Potassium Channel

>  <Form> (934)
HCl

>  <URL> (934)
http://www.selleckchem.com/products/doxapram-hcl.html

>  <CAS Number> (934)
7081-53-0

$$$$
Vitamin D2.cdx
csChFnd80/07171813022D

 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
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (935)
1615

>  <Formula> (935)
C28H44O

>  <MolWeight> (935)
396.64836

>  <Item Name> (935)
Vitamin D2 (Ergocalciferol)

>  <Catalog Number> (935)
S4035

>  <Synonyms> (935)
N/A

>  <Target> (935)
DNA/RNA Synthesis

>  <Form> (935)
Free Base

>  <URL> (935)
http://www.selleckchem.com/products/vitamin-d2-ergocalciferol.html

>  <CAS Number> (935)
50-14-6

$$$$
Desvenlafaxine.cdx
csChFnd80/07171813022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    6.5464    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 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
M  END
>  <Mol_ID> (936)
1618

>  <Formula> (936)
C16H25NO2

>  <MolWeight> (936)
263.3752

>  <Item Name> (936)
Desvenlafaxine

>  <Catalog Number> (936)
S4113

>  <Synonyms> (936)
O-desmethylvenlafaxine

>  <Target> (936)
5-HT Receptor

>  <Form> (936)
Free Base

>  <URL> (936)
http://www.selleckchem.com/products/desvenlafaxine.html

>  <CAS Number> (936)
93413-62-8

$$$$
Desvenlafaxine succinate.cdx
csChFnd80/07171813022D

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.5655    8.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0796    7.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9736    6.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3578    6.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458    8.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9497    9.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    8.2850    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1718    6.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8678    9.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592    7.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   10.3829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638   11.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4621    9.6891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4422    8.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2221    7.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    6.2101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256    5.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    6.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0224    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8106    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5989    1.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    2.0988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1754    1.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3871    3.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2341    2.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0224    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
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 20 26  1  0  0  0  0
 20 27  2  0  0  0  0
M  END
>  <Mol_ID> (937)
1619

>  <Formula> (937)
C20H31NO6

>  <MolWeight> (937)
381.46324

>  <Item Name> (937)
Desvenlafaxine Succinate

>  <Catalog Number> (937)
S4112

>  <Synonyms> (937)
N/A

>  <Target> (937)
5-HT Receptor

>  <Form> (937)
Succinate

>  <URL> (937)
http://www.selleckchem.com/products/desvenlafaxine-succinate.html

>  <CAS Number> (937)
386750-22-7

$$$$
Dicloxacillin sodium.cdx
csChFnd80/07171813022D

 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
    0.0000    5.1045    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4364    3.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3167    2.4571    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.9159    2.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9562    1.9627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2070    4.2688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    2.4644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5465    1.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1307    3.1657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8345    3.7478    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0578    4.2203    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3555    5.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    5.1404    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.0407    0.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6334    6.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    6.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4509    4.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0279    2.8068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2670    5.2197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6602    5.0816    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    7.2571    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
  6  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18 16  1  1  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 18  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
 21 24  1  1  0  0  0
 19 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 22 28  1  6  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (938)
1620

>  <Formula> (938)
C19H18Cl2N3NaO6S

>  <MolWeight> (938)
510.32349

>  <Item Name> (938)
Dicloxacillin Sodium

>  <Catalog Number> (938)
S4111

>  <Synonyms> (938)
Diclocil

>  <Target> (938)
Antifection

>  <Form> (938)
Sodium Salt

>  <URL> (938)
http://www.selleckchem.com/products/dicloxacillin-sodium.html

>  <CAS Number> (938)
13412-64-1

$$$$
Estradiol benzoate.cdx
csChFnd80/07171813022D

 31 35  0  0  0  0  0  0  0  0999 V2000
    6.0513    4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0498    2.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750    2.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    4.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    4.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8999    2.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011    4.1924    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6893    4.8934    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1141    4.8913    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1153    6.2913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9035    6.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   13.4472    6.7228    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8795    8.0495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2629    7.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9011    5.5924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1141    3.4913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6893    3.4934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8416    2.0995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    2.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6329    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 12 19  1  1  0  0  0
  9 20  1  1  0  0  0
 11 21  1  6  0  0  0
 10 22  1  6  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (939)
1621

>  <Formula> (939)
C25H28O3

>  <MolWeight> (939)
376.48802

>  <Item Name> (939)
Estradiol Benzoate

>  <Catalog Number> (939)
S4110

>  <Synonyms> (939)
N/A

>  <Target> (939)
Estrogen/progestogen Receptor

>  <Form> (939)
Free Base

>  <URL> (939)
http://www.selleckchem.com/products/estradiol-benzoate.html

>  <CAS Number> (939)
50-50-0

$$$$
Aminosalicylate sodium.cdx
csChFnd80/07171813022D

 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> (940)
1628

>  <Formula> (940)
C7H6NNaO3

>  <MolWeight> (940)
175.11721

>  <Item Name> (940)
Sodium 4-Aminosalicylate

>  <Catalog Number> (940)
S4073

>  <Synonyms> (940)
N/A

>  <Target> (940)
NF-¦ÊB

>  <Form> (940)
Sodium Salt

>  <URL> (940)
http://www.selleckchem.com/products/aminosalicylate-sodium.html

>  <CAS Number> (940)
133-10-8

$$$$

csChFnd80/07171813022D

 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
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  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
 10 11  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
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 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> (941)
1629

>  <Formula> (941)
C16H14N2O3S

>  <MolWeight> (941)
314.35896

>  <Item Name> (941)
Valdecoxib

>  <Catalog Number> (941)
S4049

>  <Synonyms> (941)
SC-65872, YM-974

>  <Target> (941)
COX

>  <Form> (941)
Free Base

>  <URL> (941)
http://www.selleckchem.com/products/valdecoxib.html

>  <CAS Number> (941)
181695-72-7

$$$$
Bisacodyl.cdx
csChFnd80/07171813022D

 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
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    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
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    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
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 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> (942)
1630

>  <Formula> (942)
C22H19NO4

>  <MolWeight> (942)
361.39056

>  <Item Name> (942)
Bisacodyl

>  <Catalog Number> (942)
S4047

>  <Synonyms> (942)
N/A

>  <Target> (942)
Others

>  <Form> (942)
Free Base

>  <URL> (942)
http://www.selleckchem.com/products/bisacodyl.html

>  <CAS Number> (942)
30652-11-0

$$$$
Carbimazole.cdx
csChFnd80/07171813022D

 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> (943)
1631

>  <Formula> (943)
C7H10N2O2S

>  <MolWeight> (943)
186.2315

>  <Item Name> (943)
Carbimazole

>  <Catalog Number> (943)
S4048

>  <Synonyms> (943)
N/A

>  <Target> (943)
Others

>  <Form> (943)
Free Base

>  <URL> (943)
http://www.selleckchem.com/products/carbimazole.html

>  <CAS Number> (943)
22232-54-8

$$$$
Decamethonium bromide.cdx
csChFnd80/07171813022D

 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
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 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> (944)
1632

>  <Formula> (944)
C16H38Br2N2

>  <MolWeight> (944)
418.29432

>  <Item Name> (944)
Decamethonium Bromide

>  <Catalog Number> (944)
S4072

>  <Synonyms> (944)
Syncurine

>  <Target> (944)
AChR

>  <Form> (944)
Bromide

>  <URL> (944)
http://www.selleckchem.com/products/decamethonium-bromide.html

>  <CAS Number> (944)
541-22-0

$$$$
Estradiol cypionate.cdx
csChFnd80/07171813022D

 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
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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
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 14 10  1  0  0  0  0
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 17 12  1  0  0  0  0
 17 18  1  1  0  0  0
 12 19  1  1  0  0  0
  9 20  1  1  0  0  0
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 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> (945)
1633

>  <Formula> (945)
C26H36O3

>  <MolWeight> (945)
396.56224

>  <Item Name> (945)
Estradiol Cypionate

>  <Catalog Number> (945)
S4046

>  <Synonyms> (945)
N/A

>  <Target> (945)
Estrogen/progestogen Receptor

>  <Form> (945)
Free Base

>  <URL> (945)
http://www.selleckchem.com/products/estradiol-cypionate.html

>  <CAS Number> (945)
313-06-4

$$$$
Griseofulvin.cdx
csChFnd80/07171813022D

 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
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    7.4534    5.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  1  0  0  0
  8  7  1  6  0  0  0
M  END
>  <Mol_ID> (946)
1634

>  <Formula> (946)
C17H17ClO6

>  <MolWeight> (946)
352.76628

>  <Item Name> (946)
Griseofulvin

>  <Catalog Number> (946)
S4071

>  <Synonyms> (946)
N/A

>  <Target> (946)
Microtubule Associated

>  <Form> (946)
Free Base

>  <URL> (946)
http://www.selleckchem.com/products/griseofulvin.html

>  <CAS Number> (946)
126-07-8

$$$$
Guanidine HCl.cdx
csChFnd80/07171813022D

  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> (947)
1635

>  <Formula> (947)
CH6ClN3

>  <MolWeight> (947)
95.53144

>  <Item Name> (947)
Guanidine (Aminoformamidine) HCl

>  <Catalog Number> (947)
S4070

>  <Synonyms> (947)
N/A

>  <Target> (947)
Others

>  <Form> (947)
Hydrochloride

>  <URL> (947)
http://www.selleckchem.com/products/guanidine-aminoformamidine-hcl.html

>  <CAS Number> (947)
50-01-1

$$$$
Hexamethonium bromide.cdx
csChFnd80/07171813022D

 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> (948)
1636

>  <Formula> (948)
C12H30Br2N2

>  <MolWeight> (948)
362.188

>  <Item Name> (948)
Hexamethonium Dibromide

>  <Catalog Number> (948)
S4069

>  <Synonyms> (948)
N/A

>  <Target> (948)
AChR

>  <Form> (948)
Dibromide

>  <URL> (948)
http://www.selleckchem.com/products/hexamethonium-bromide.html

>  <CAS Number> (948)
55-97-0

$$$$
Mefenamic acid.cdx
csChFnd80/07171813022D

 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> (949)
1637

>  <Formula> (949)
C15H15NO2

>  <MolWeight> (949)
241.2851

>  <Item Name> (949)
Mefenamic Acid

>  <Catalog Number> (949)
S4078

>  <Synonyms> (949)
N/A

>  <Target> (949)
COX

>  <Form> (949)
Free Base

>  <URL> (949)
http://www.selleckchem.com/products/mefenamic-acid.html

>  <CAS Number> (949)
61-68-7

$$$$
Mequinol.cdx
csChFnd80/07171813022D

  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> (950)
1638

>  <Formula> (950)
C7H8O2

>  <MolWeight> (950)
124.13722

>  <Item Name> (950)
Mequinol

>  <Catalog Number> (950)
S4077

>  <Synonyms> (950)
N/A

>  <Target> (950)
Others

>  <Form> (950)
Free Base

>  <URL> (950)
http://www.selleckchem.com/products/mequinol.html

>  <CAS Number> (950)
150-76-5

$$$$
Propranolol HCl.cdx
csChFnd80/07171813022D

 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8075    1.7063    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (951)
1639

>  <Formula> (951)
C16H22ClNO2

>  <MolWeight> (951)
295.80438

>  <Item Name> (951)
Propranolol HCl

>  <Catalog Number> (951)
S4076

>  <Synonyms> (951)
N/A

>  <Target> (951)
Adrenergic Receptor

>  <Form> (951)
Hydrochloride

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

>  <CAS Number> (951)
318-98-9

$$$$
Sodium nitrite.cdx
csChFnd80/07171813022D

  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> (952)
1640

>  <Formula> (952)
NNaO2

>  <MolWeight> (952)
68.99527

>  <Item Name> (952)
Sodium Nitrite

>  <Catalog Number> (952)
S4074

>  <Synonyms> (952)
N/A

>  <Target> (952)
Others

>  <Form> (952)
Sodium Salt

>  <URL> (952)
http://www.selleckchem.com/products/sodium-nitrite.html

>  <CAS Number> (952)
7632-00-0

$$$$
valganciclovir hydrochloride.cdx
csChFnd80/07171813022D

 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> (953)
1642

>  <Formula> (953)
C14H25ClN6O5

>  <MolWeight> (953)
392.8385

>  <Item Name> (953)
Valganciclovir Hydrochloride

>  <Catalog Number> (953)
S4050

>  <Synonyms> (953)
N/A

>  <Target> (953)
Antifection

>  <Form> (953)
Hydrochloride

>  <URL> (953)
http://www.selleckchem.com/products/valganciclovir-hcl.html

>  <CAS Number> (953)
175865-59-5

$$$$
Escitalopram oxalate.cdx
csChFnd80/07171813022D

 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
    7.6597    6.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    5.4445    4.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    3.4951    4.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8026    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5731    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273    2.2075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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   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
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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
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  8  9  1  0  0  0  0
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 20 21  1  0  0  0  0
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  4 23  1  0  0  0  0
 23 24  3  0  0  0  0
 25 26  1  0  0  0  0
 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> (954)
1644

>  <Formula> (954)
C22H23FN2O5

>  <MolWeight> (954)
414.4268232

>  <Item Name> (954)
Escitalopram Oxalate

>  <Catalog Number> (954)
S4064

>  <Synonyms> (954)
S-(+)-Citalopram Oxalate

>  <Target> (954)
5-HT Receptor

>  <Form> (954)
Oxalate

>  <URL> (954)
http://www.selleckchem.com/products/escitalopram-oxalate.html

>  <CAS Number> (954)
219861-08-2

$$$$
Guanabenz acetate.cdx
csChFnd80/07171813022D

 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
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 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> (955)
1645

>  <Formula> (955)
C10H12Cl2N4O2

>  <MolWeight> (955)
291.13388

>  <Item Name> (955)
Guanabenz (WY-8678) Acetate

>  <Catalog Number> (955)
S4065

>  <Synonyms> (955)
N/A

>  <Target> (955)
Adrenergic Receptor

>  <Form> (955)
Acetate

>  <URL> (955)
http://www.selleckchem.com/products/guanabenz-wy-8678-acetate.html

>  <CAS Number> (955)
23256-50-0

$$$$
tinidazole.cdx
csChFnd80/07171813022D

 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
    1.3361    3.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7687    4.9361    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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    0.7788    5.9260    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    5.6619    3.6805    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  2  0  0  0  0
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M  END
>  <Mol_ID> (956)
1647

>  <Formula> (956)
C8H13N3O4S

>  <MolWeight> (956)
247.27152

>  <Item Name> (956)
Tinidazole

>  <Catalog Number> (956)
S4068

>  <Synonyms> (956)
N/A

>  <Target> (956)
Antifection

>  <Form> (956)
Free Base

>  <URL> (956)
http://www.selleckchem.com/products/tinidazole.html

>  <CAS Number> (956)
19387-91-8

$$$$
OCUSULF-10 (sulfacetamide sodium).cdx
csChFnd80/07171813022D

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.1330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.4330    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.2620    3.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.3454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083    0.0000    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
  2  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  8 13  2  0  0  0  0
  8 14  2  0  0  0  0
M  END
>  <Mol_ID> (957)
1648

>  <Formula> (957)
C8H9N2NaO3S

>  <MolWeight> (957)
236.22343

>  <Item Name> (957)
Sulfacetamide Sodium

>  <Catalog Number> (957)
S4081

>  <Synonyms> (957)
N/A

>  <Target> (957)
Autophagy

>  <Form> (957)
Sodium Salt

>  <URL> (957)
http://www.selleckchem.com/products/sulfacetamide-sodium.html

>  <CAS Number> (957)
127-56-0

$$$$
Ticagrelor.cdx
csChFnd80/07171813022D

 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
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    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
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   12.2335   10.0413    0.0000 C   0  0  1  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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 12  5  1  0  0  0  0
 15  5  1  0  0  0  0
 16  7  1  0  0  0  0
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 14  8  2  0  0  0  0
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 10 16  1  1  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
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 17 12  1  0  0  0  0
 12 26  1  6  0  0  0
 24 14  1  0  0  0  0
 19 15  1  0  0  0  0
 17 27  1  6  0  0  0
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 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
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 22 25  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> (958)
1649

>  <Formula> (958)
C23H28F2N6O4S

>  <MolWeight> (958)
522.5680264

>  <Item Name> (958)
Ticagrelor

>  <Catalog Number> (958)
S4079

>  <Synonyms> (958)
AZD6140

>  <Target> (958)
P2 Receptor

>  <Form> (958)
Free Base

>  <URL> (958)
http://www.selleckchem.com/products/ticagrelor.html

>  <CAS Number> (958)
274693-27-5

$$$$
DYRENIUM (triamterene).cdx
csChFnd80/07171813022D

 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
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    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
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  1  2  2  0  0  0  0
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 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
M  END
>  <Mol_ID> (959)
1650

>  <Formula> (959)
C12H11N7

>  <MolWeight> (959)
253.26264

>  <Item Name> (959)
Triamterene

>  <Catalog Number> (959)
S4080

>  <Synonyms> (959)
N/A

>  <Target> (959)
Sodium Channel

>  <Form> (959)
Free Base

>  <URL> (959)
http://www.selleckchem.com/products/triamterene.html

>  <CAS Number> (959)
396-01-0

$$$$
Ethambutol Hydrochloride.cdx
csChFnd80/07171813022D

 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> (960)
1651

>  <Formula> (960)
C10H26Cl2N2O2

>  <MolWeight> (960)
277.23164

>  <Item Name> (960)
Ethambutol HCl

>  <Catalog Number> (960)
S4004

>  <Synonyms> (960)
N/A

>  <Target> (960)
Antifection

>  <Form> (960)
Dihydrochloride

>  <URL> (960)
http://www.selleckchem.com/products/ethambutol-hcl.html

>  <CAS Number> (960)
1070-11-7

$$$$
EQUIPIN (homatropine methylbromide).cdx
csChFnd80/07171813022D

 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> (961)
1652

>  <Formula> (961)
C17H24BrNO3

>  <MolWeight> (961)
370.28136

>  <Item Name> (961)
Homatropine Methylbromide

>  <Catalog Number> (961)
S4024

>  <Synonyms> (961)
N/A

>  <Target> (961)
AChR

>  <Form> (961)
quaternary-N bromide salt

>  <URL> (961)
http://www.selleckchem.com/products/homatropine-methylbromide.html

>  <CAS Number> (961)
80-49-9

$$$$
Homatropine bromide.cdx
csChFnd80/07171813022D

 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> (962)
1653

>  <Formula> (962)
C16H22BrNO3

>  <MolWeight> (962)
356.25478

>  <Item Name> (962)
Homatropine Bromide

>  <Catalog Number> (962)
S4025

>  <Synonyms> (962)
N/A

>  <Target> (962)
AChR

>  <Form> (962)
quaternary-N bromide salt

>  <URL> (962)
http://www.selleckchem.com/products/homatropine-bromide.html

>  <CAS Number> (962)
51-56-9

$$$$
Hydroxyzine dihydrochloride.cdx
csChFnd80/07171813022D

 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> (963)
1654

>  <Formula> (963)
C21H29Cl3N2O2

>  <MolWeight> (963)
447.82616

>  <Item Name> (963)
Hydroxyzine 2HCl

>  <Catalog Number> (963)
S4026

>  <Synonyms> (963)
N/A

>  <Target> (963)
Histamine Receptor

>  <Form> (963)
dihydrochloride

>  <URL> (963)
http://www.selleckchem.com/products/hydroxyzine-2hcl.html

>  <CAS Number> (963)
2192-20-3

$$$$
Flavoxate HCL.cdx
csChFnd80/07171813022D

 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> (964)
1655

>  <Formula> (964)
C24H26ClNO4

>  <MolWeight> (964)
427.92054

>  <Item Name> (964)
Flavoxate HCl

>  <Catalog Number> (964)
S4027

>  <Synonyms> (964)
N/A

>  <Target> (964)
AChR

>  <Form> (964)
hydrochloride

>  <URL> (964)
http://www.selleckchem.com/products/flavoxate-hcl.html

>  <CAS Number> (964)
3717-88-2

$$$$
Aclidinium bromide.cdx
csChFnd80/07171813022D

 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
    1.9371    7.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1955    6.0216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3968    5.3308    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9553    7.1477    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054    7.1477    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9792    3.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5466    5.3459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4930    2.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8416    1.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4601    1.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6526    2.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4272    0.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0641    2.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8238    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6346    1.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844    7.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6024    3.3555    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
 21  1  1  0  0  0  0
  6  2  1  0  0  0  0
 11  2  2  0  0  0  0
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 24  3  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8  4  1  0  0  0  0
 13  4  2  0  0  0  0
  9  5  1  0  0  0  0
 14  5  2  0  0  0  0
  7  6  1  6  0  0  0
 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
 22 12  1  0  0  0  0
 23 12  1  0  0  0  0
 12 34  1  6  0  0  0
 20 13  1  0  0  0  0
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 15 20  2  0  0  0  0
 19 16  2  0  0  0  0
 17 23  1  0  0  0  0
 18 22  1  0  0  0  0
 25 24  1  0  0  0  0
 28 25  1  0  0  0  0
 26 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 26  2  0  0  0  0
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 31 29  2  0  0  0  0
 32 30  1  0  0  0  0
 33 31  1  0  0  0  0
 33 32  2  0  0  0  0
M  END
>  <Mol_ID> (965)
1656

>  <Formula> (965)
C26H30BrNO4S2

>  <MolWeight> (965)
564.5547

>  <Item Name> (965)
Aclidinium Bromide

>  <Catalog Number> (965)
S4031

>  <Synonyms> (965)
N/A

>  <Target> (965)
AChR

>  <Form> (965)
quaternary-N bromide salt

>  <URL> (965)
http://www.selleckchem.com/products/aclidinium-bromide.html

>  <CAS Number> (965)
320345-99-1

$$$$
Histamine dihydrochloride.cdx
csChFnd80/07171813022D

 10  8  0  0  0  0  0  0  0  0999 V2000
    5.9466    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7342    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0929    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2256    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1623    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.5012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5012    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (966)
1659

>  <Formula> (966)
C5H11Cl2N3

>  <MolWeight> (966)
184.06694

>  <Item Name> (966)
Histamine 2HCl

>  <Catalog Number> (966)
S4118

>  <Synonyms> (966)
N/A

>  <Target> (966)
Histamine Receptor

>  <Form> (966)
Dihydrochloride

>  <URL> (966)
https://www.selleckchem.com/products/histamine-2hcl.html

>  <CAS Number> (966)
56-92-8

$$$$
Levodropropizine.cdx
csChFnd80/07171813022D

 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
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 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
    8.4744    4.1976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4744    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  1  0  0  0
M  END
>  <Mol_ID> (967)
1660

>  <Formula> (967)
C13H20N2O2

>  <MolWeight> (967)
236.3101

>  <Item Name> (967)
Levodropropizine

>  <Catalog Number> (967)
S4131

>  <Synonyms> (967)
N/A

>  <Target> (967)
Histamine Receptor

>  <Form> (967)
Free Base

>  <URL> (967)
https://www.selleckchem.com/products/levodropropizine.html

>  <CAS Number> (967)
99291-25-5

$$$$
Pefloxacin mesylate dihydrate.cdx
csChFnd80/07171813022D

 31 30  0  0  0  0  0  0  0  0999 V2000
    7.2652    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2652    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0617    6.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    1.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4634    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    5.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2380    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    3.3661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    6.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    6.1945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    1.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    4.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1071    5.4941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8927    7.5841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4073    1.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    3.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    1.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    1.3734    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.9248    1.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1676    1.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    2.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6999    9.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2999    9.6812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  2  0  0  0  0
 25 29  2  0  0  0  0
M  END
>  <Mol_ID> (968)
1662

>  <Formula> (968)
C18H28FN3O8S

>  <MolWeight> (968)
465.4936232

>  <Item Name> (968)
Pefloxacin Mesylate Dihydrate

>  <Catalog Number> (968)
S4119

>  <Synonyms> (968)
N/A

>  <Target> (968)
Topoisomerase

>  <Form> (968)
Mesylate

>  <URL> (968)
https://www.selleckchem.com/products/pefloxacin-mesylate-dihydrate.html

>  <CAS Number> (968)
149676-40-4

$$$$
sodium phenylbutyrate.cdx
csChFnd80/07171813022D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  4  6  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (969)
1665

>  <Formula> (969)
C10H11NaO2

>  <MolWeight> (969)
186.18291

>  <Item Name> (969)
Sodium Phenylbutyrate

>  <Catalog Number> (969)
S4125

>  <Synonyms> (969)
N/A

>  <Target> (969)
HDAC

>  <Form> (969)
Sodium Salt

>  <URL> (969)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

>  <CAS Number> (969)
1716-12-7

$$$$
Succinylcholine Chloride Dihydrate.cdx
csChFnd80/07171813022D

 24 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8808    6.1809    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    7.8746    4.7803    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (970)
1666

>  <Formula> (970)
C14H34Cl2N2O6

>  <MolWeight> (970)
397.33556

>  <Item Name> (970)
Succinylcholine Chloride Dihydrate

>  <Catalog Number> (970)
S4121

>  <Synonyms> (970)
Suxamethonium Chloride Dihydrate

>  <Target> (970)
AChR

>  <Form> (970)
Chloride

>  <URL> (970)
https://www.selleckchem.com/products/succinylcholine-suxamethonium-chloride-dihydrate.html

>  <CAS Number> (970)
6101-15-1

$$$$
Sulconazle Nitrate.cdx
csChFnd80/07171813022D

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.2085    9.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    9.3131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    7.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.6297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5297    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.7297    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 16 17  1  0  0  0  0
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  5  6  1  0  0  0  0
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M  END
>  <Mol_ID> (971)
1667

>  <Formula> (971)
C18H16Cl3N3O3S

>  <MolWeight> (971)
460.76194

>  <Item Name> (971)
Sulconazole Nitrate

>  <Catalog Number> (971)
S4120

>  <Synonyms> (971)
N/A

>  <Target> (971)
Antifection

>  <Form> (971)
Nitrate

>  <URL> (971)
https://www.selleckchem.com/products/sulconazole-nitrate.html

>  <CAS Number> (971)
82382-23-8

$$$$
Terbutaline sulfate.cdx
csChFnd80/07171813022D

 37 36  0  0  0  0  0  0  0  0999 V2000
    8.9399   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   11.2317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1566   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5150   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7274   12.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1566    8.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   11.2317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3733    9.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5150    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 31  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  2  0  0  0  0
 33 37  2  0  0  0  0
M  END
>  <Mol_ID> (972)
1668

>  <Formula> (972)
C24H40N2O10S

>  <MolWeight> (972)
548.6468

>  <Item Name> (972)
Terbutaline Sulfate

>  <Catalog Number> (972)
S4127

>  <Synonyms> (972)
N/A

>  <Target> (972)
Adrenergic Receptor

>  <Form> (972)
Sulfate

>  <URL> (972)
https://www.selleckchem.com/products/terbutaline-sulfate.html

>  <CAS Number> (972)
23031-32-5 

$$$$
Tilmicosin.cdx
csChFnd80/07171813022D

 61 64  0  0  0  0  0  0  0  0999 V2000
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Tilmicosin

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S4122

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N/A

>  <Target> (973)
Antifection

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Free Base

>  <URL> (973)
https://www.selleckchem.com/products/tilmicosin.html

>  <CAS Number> (973)
108050-54-0

$$$$
Timolol Maleate.cdx
csChFnd80/07171813022D

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Timolol Maleate

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S4123

>  <Synonyms> (974)
N/A

>  <Target> (974)
Adrenergic Receptor

>  <Form> (974)
Maleate

>  <URL> (974)
https://www.selleckchem.com/products/timolol-maleate.html

>  <CAS Number> (974)
26921-17-5

$$$$
Tolazoline HCl.cdx
csChFnd80/07171813022D

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1671

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Tolazoline HCl

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S4124

>  <Synonyms> (975)
N/A

>  <Target> (975)
Adrenergic Receptor

>  <Form> (975)
Hydrochloride

>  <URL> (975)
https://www.selleckchem.com/products/tolazoline-hcl.html

>  <CAS Number> (975)
59-97-2

$$$$
Troxipide.cdx
csChFnd80/07171813022D

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C15H22N2O4

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Troxipide

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S4128

>  <Synonyms> (976)
N/A

>  <Target> (976)
Others

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Free Base

>  <URL> (976)
https://www.selleckchem.com/products/troxipide.html

>  <CAS Number> (976)
30751-05-4

$$$$
Macitentan(ACT-064992).cdx
csChFnd80/07171813022D

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1674

>  <Formula> (977)
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>  <Item Name> (977)
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S8051

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ACT-064992

>  <Target> (977)
Endothelin Receptor

>  <Form> (977)
Free Base

>  <URL> (977)
https://www.selleckchem.com/products/macitentan.html

>  <CAS Number> (977)
441798-33-0

$$$$
Batimastat (BB-94).cdx
csChFnd80/07171813022D

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Batimastat (BB-94)

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S7155

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Batimastat

>  <Target> (978)
MMP

>  <Form> (978)
Free Base

>  <URL> (978)
https://www.selleckchem.com/products/bb-94.html

>  <CAS Number> (978)
130370-60-4

$$$$
GM6001 (galardin, ilomastat).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (979)
1690

>  <Formula> (979)
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>  <MolWeight> (979)
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>  <Item Name> (979)
Ilomastat (GM6001, Galardin)

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S7157

>  <Synonyms> (979)
N/A

>  <Target> (979)
MMP

>  <Form> (979)
Free Base

>  <URL> (979)
https://www.selleckchem.com/products/gm6001.html

>  <CAS Number> (979)
142880-36-2

$$$$
Ampicillin trihydrate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (980)
1696

>  <Formula> (980)
C16H25N3O7S

>  <MolWeight> (980)
403.4506

>  <Item Name> (980)
Ampicillin Trihydrate

>  <Catalog Number> (980)
S4148

>  <Synonyms> (980)
N/A

>  <Target> (980)
Antifection

>  <Form> (980)
Free Base

>  <URL> (980)
http://www.selleckchem.com/products/ampicillin-trihydrate.html

>  <CAS Number> (980)
7177-48-2 

$$$$
Amprolium HCl.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (981)
1699

>  <Formula> (981)
C14H20Cl2N4

>  <MolWeight> (981)
315.2414

>  <Item Name> (981)
Amprolium HCl

>  <Catalog Number> (981)
S4144

>  <Synonyms> (981)
N/A

>  <Target> (981)
Vitamin

>  <Form> (981)
Hydrochloride

>  <URL> (981)
http://www.selleckchem.com/products/amprolium-hcl.html

>  <CAS Number> (981)
137-88-2

$$$$
Azithromycin dihydrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (982)
1700

>  <Formula> (982)
C38H76N2O14

>  <MolWeight> (982)
785.01504

>  <Item Name> (982)
Azithromycin Dihydrate

>  <Catalog Number> (982)
S4147

>  <Synonyms> (982)
N/A

>  <Target> (982)
Antifection

>  <Form> (982)
Free Base

>  <URL> (982)
http://www.selleckchem.com/products/azithromycin-dihydrate.html

>  <CAS Number> (982)
117772-70-0

$$$$
Bacitracin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (983)
1701

>  <Formula> (983)
C65H101N17O16S

>  <MolWeight> (983)
1408.66674

>  <Item Name> (983)
Bacitracin

>  <Catalog Number> (983)
S4146

>  <Synonyms> (983)
N/A

>  <Target> (983)
Antifection

>  <Form> (983)
Free Base

>  <URL> (983)
http://www.selleckchem.com/products/bacitracin.html

>  <CAS Number> (983)
1405-87-4

$$$$
Cyclizine 2HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (984)
1703

>  <Formula> (984)
C18H24Cl2N2

>  <MolWeight> (984)
339.30256

>  <Item Name> (984)
Cyclizine 2HCl

>  <Catalog Number> (984)
S4139

>  <Synonyms> (984)
N/A

>  <Target> (984)
Histamine Receptor

>  <Form> (984)
Hydrochloride

>  <URL> (984)
http://www.selleckchem.com/products/cyclizine-2hcl.html

>  <CAS Number> (984)
5897-18-7

$$$$
Dinitolmide.cdx
csChFnd80/07171813022D

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1705

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C8H7N3O5

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Dinitolmide (Zoalene)

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S4141

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N/A

>  <Target> (985)
Antifection

>  <Form> (985)
Free Base

>  <URL> (985)
http://www.selleckchem.com/products/dinitolmide-zoalene.html

>  <CAS Number> (985)
148-01-6

$$$$
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>  <Formula> (986)
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>  <Item Name> (986)
Ceritinib (LDK378)

>  <Catalog Number> (986)
S7083

>  <Synonyms> (986)
N/A

>  <Target> (986)
ALK

>  <Form> (986)
Free Base

>  <URL> (986)
http://www.selleckchem.com/products/ldk378.html

>  <CAS Number> (986)
1032900-25-6

$$$$
LY2835219.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (987)
1707

>  <Formula> (987)
C28H36F2N8O3S

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>  <Item Name> (987)
abemaciclib (LY2835219)

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S7158

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N/A

>  <Target> (987)
CDK

>  <Form> (987)
Mesylate

>  <URL> (987)
http://www.selleckchem.com/products/ly2835219.html

>  <CAS Number> (987)
1231930-82-7

$$$$
Amfenac Sodium£¨monohydrate£©.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (988)
1714

>  <Formula> (988)
C15H14NNaO4

>  <MolWeight> (988)
295.26573

>  <Item Name> (988)
Amfenac Sodium (monohydrate)

>  <Catalog Number> (988)
S4149

>  <Synonyms> (988)
N/A

>  <Target> (988)
COX

>  <Form> (988)
Free Base

>  <URL> (988)
http://www.selleckchem.com/products/amfenac-sodium-monohydrate.html

>  <CAS Number> (988)
61618-27-7

$$$$
Benzydamine hydrochloride.cdx
csChFnd80/07171813022D

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    5.9832    2.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3479    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7790    1.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437    0.7467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8952    5.2864    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
  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
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
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 17 12  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (989)
1715

>  <Formula> (989)
C19H24ClN3O

>  <MolWeight> (989)
345.86636

>  <Item Name> (989)
Benzydamine Hydrochloride

>  <Catalog Number> (989)
S4165

>  <Synonyms> (989)
N/A

>  <Target> (989)
Immunology & Inflammation related

>  <Form> (989)
Hydrochloride

>  <URL> (989)
http://www.selleckchem.com/products/benzydamine-hcl.html

>  <CAS Number> (989)
132-69-4

$$$$
Betamipron.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4333    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4399    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    2.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    2.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8647    2.0902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6622    4.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0804    2.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2896    2.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5053    2.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7144    2.0674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5118    4.1731    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
  7  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
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (990)
1716

>  <Formula> (990)
C10H11NO3

>  <MolWeight> (990)
193.19924

>  <Item Name> (990)
Betamipron

>  <Catalog Number> (990)
S4191

>  <Synonyms> (990)
N/A

>  <Target> (990)
Antifection

>  <Form> (990)
Free Base

>  <URL> (990)
http://www.selleckchem.com/products/betamipron.html

>  <CAS Number> (990)
3440-28-6

$$$$
RIMADYL (carprofen).cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3927    0.0000 O   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
    2.4207    1.3951    0.0000 C   0  0  3  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
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.4927    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    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0942    4.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247    5.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    5.5621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865    4.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3094    5.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7400    6.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3476    6.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6969    5.2699    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
  3  5  1  0  0  0  0
  2  6  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 11  1  0  0  0  0
 11  4  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 10  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 13  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (991)
1717

>  <Formula> (991)
C15H12ClNO2

>  <MolWeight> (991)
273.71428

>  <Item Name> (991)
Carprofen

>  <Catalog Number> (991)
S4136

>  <Synonyms> (991)
N/A

>  <Target> (991)
COX

>  <Form> (991)
Free Base

>  <URL> (991)
http://www.selleckchem.com/products/carprofen.html

>  <CAS Number> (991)
53716-49-7

$$$$
Ceftriaxone sodium trihydrate.cdx
csChFnd80/07171813022D

 39 39  0  0  0  0  0  0  0  0999 V2000
    9.3983    3.7707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6983    4.9832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7983    3.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1860    3.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4860    4.2832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3983    6.1957    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.4983    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4983    2.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8235    1.7185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1337    4.6455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7983    6.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8983    4.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8983    2.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7983    1.3459    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3305    3.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3772    6.2987    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9360    3.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9223    2.2298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7772    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329    2.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442    4.8895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4772    7.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4772    5.0864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7331    2.4494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8772    7.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7772    8.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8772    5.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4706    0.3077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3238    1.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5557    7.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5772    6.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5772    3.8739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.9772    6.2987    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.2925    0.3646    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   20.1363    6.3438    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   14.8863    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
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 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  1  0  0  0  0
 27 33  2  0  0  0  0
 29 34  2  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 35  1  0  0  0  0
 33 36  1  0  0  0  0
A   39
3.5H2O
M  END
>  <Mol_ID> (992)
1718

>  <Formula> (992)
C18H16N8Na2O7RS3

>  <MolWeight> (992)
598.54358

>  <Item Name> (992)
Ceftriaxone Sodium Trihydrate

>  <Catalog Number> (992)
S4158

>  <Synonyms> (992)
N/A

>  <Target> (992)
Antifection

>  <Form> (992)
Free Base

>  <URL> (992)
http://www.selleckchem.com/products/ceftriaxone-sodium-trihydrate.html

>  <CAS Number> (992)
104376-79-6

$$$$
Cetylpyridinium chloride.cdx
csChFnd80/07171813022D

 23 22  0  0  0  0  0  0  0  0999 V2000
    2.4179    2.1744    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2349    2.8005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4437    0.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6304    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8313    2.1810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0494    2.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2590    2.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4728    2.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6846    2.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8974    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    2.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1096    0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8972    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6226    0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (993)
1719

>  <Formula> (993)
C21H38ClN

>  <MolWeight> (993)
339.98612

>  <Item Name> (993)
Cetylpyridinium Chloride

>  <Catalog Number> (993)
S4172

>  <Synonyms> (993)
N/A

>  <Target> (993)
Antifection

>  <Form> (993)
Chloride

>  <URL> (993)
http://www.selleckchem.com/products/cetylpyridinium-chloride.html

>  <CAS Number> (993)
123-03-5

$$$$
Chloroquine phosphate.cdx
csChFnd80/07171813022D

 32 31  0  0  0  0  0  0  0  0999 V2000
    3.6275    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6275    4.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    6.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0500    5.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    8.2873    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.3927    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6993    7.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0932    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (994)
1720

>  <Formula> (994)
C18H32ClN3O8P2

>  <MolWeight> (994)
515.862502

>  <Item Name> (994)
Chloroquine Phosphate

>  <Catalog Number> (994)
S4157

>  <Synonyms> (994)
N/A

>  <Target> (994)
Others

>  <Form> (994)
Diphosphate

>  <URL> (994)
http://www.selleckchem.com/products/chloroquine-phosphate.html

>  <CAS Number> (994)
50-63-5

$$$$
Chlorpropamide.cdx
csChFnd80/07171813022D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582    1.5949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1582    4.0198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    3.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1582    1.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (995)
1721

>  <Formula> (995)
C10H13ClN2O3S

>  <MolWeight> (995)
276.73982

>  <Item Name> (995)
Chlorpropamide

>  <Catalog Number> (995)
S4166

>  <Synonyms> (995)
N/A

>  <Target> (995)
Others

>  <Form> (995)
Free Base

>  <URL> (995)
http://www.selleckchem.com/products/chlorpropamide.html

>  <CAS Number> (995)
94-20-2

$$$$
Chlorquinaldol.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    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
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    4.8497    5.6000    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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M  END
>  <Mol_ID> (996)
1722

>  <Formula> (996)
C10H7Cl2NO

>  <MolWeight> (996)
228.07468

>  <Item Name> (996)
Chlorquinaldol

>  <Catalog Number> (996)
S4192

>  <Synonyms> (996)
N/A

>  <Target> (996)
Antifection

>  <Form> (996)
Free Base

>  <URL> (996)
http://www.selleckchem.com/products/chlorquinaldol.html

>  <CAS Number> (996)
72-80-0

$$$$
Chlortetracycline HCl.cdx
csChFnd80/07171813022D

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.2888    5.8848    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2888    4.4798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5023    6.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.2888    3.0798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5023    7.9653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0881    2.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (997)
1723

>  <Formula> (997)
C22H24Cl2N2O8

>  <MolWeight> (997)
515.34056

>  <Item Name> (997)
Chlortetracycline HCl

>  <Catalog Number> (997)
S4156

>  <Synonyms> (997)
N/A

>  <Target> (997)
Antifection

>  <Form> (997)
Hydrochloride

>  <URL> (997)
http://www.selleckchem.com/products/chlortetracycline-hcl.html

>  <CAS Number> (997)
64-72-2

$$$$
Chlorzoxazone.cdx
csChFnd80/07171813022D

 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
    4.9688    0.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.5181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4284    2.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7780    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2151    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1780    1.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7803    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
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  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (998)
1724

>  <Formula> (998)
C7H4ClNO2

>  <MolWeight> (998)
169.56516

>  <Item Name> (998)
Chlorzoxazone

>  <Catalog Number> (998)
S4155

>  <Synonyms> (998)
N/A

>  <Target> (998)
P450 (e.g. CYP17)

>  <Form> (998)
Free Base

>  <URL> (998)
http://www.selleckchem.com/products/chlorzoxazone.html

>  <CAS Number> (998)
95-25-0

$$$$
Choline Chloride.cdx
csChFnd80/07171813022D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5426    3.7853    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
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  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
M  END
>  <Mol_ID> (999)
1726

>  <Formula> (999)
C5H14ClNO

>  <MolWeight> (999)
139.62376

>  <Item Name> (999)
Choline Chloride

>  <Catalog Number> (999)
S4171

>  <Synonyms> (999)
N/A

>  <Target> (999)
AChR

>  <Form> (999)
Chloride

>  <URL> (999)
http://www.selleckchem.com/products/choline-chloride.html

>  <CAS Number> (999)
67-48-1

$$$$
Cinchophen.cdx
csChFnd80/07171813022D

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.9000    1.2124    0.0000 N   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
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    7.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
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 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  2 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,000)
1727

>  <Formula> (1,000)
C16H11NO2

>  <MolWeight> (1,000)
249.26404

>  <Item Name> (1,000)
Cinchophen

>  <Catalog Number> (1,000)
S4190

>  <Synonyms> (1,000)
N/A

>  <Target> (1,000)
Others

>  <Form> (1,000)
Free Base

>  <URL> (1,000)
http://www.selleckchem.com/products/cinchophen.html

>  <CAS Number> (1,000)
132-60-5

$$$$
Climbazole.cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.3106    3.6339    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7099    3.6339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    4.8469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5240    4.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    4.8469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    1.2121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    2.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    2.9268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8687    4.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5078    6.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0964    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3993    4.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3825    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6112    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3825    2.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  6 11  2  0  0  0  0
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 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
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 16 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,001)
1728

>  <Formula> (1,001)
C15H17ClN2O2

>  <MolWeight> (1,001)
292.76068

>  <Item Name> (1,001)
Climbazole

>  <Catalog Number> (1,001)
S4178

>  <Synonyms> (1,001)
N/A

>  <Target> (1,001)
Antifection

>  <Form> (1,001)
Free Base

>  <URL> (1,001)
http://www.selleckchem.com/products/climbazole.html

>  <CAS Number> (1,001)
38083-17-9

$$$$
Clofazimine.cdx
csChFnd80/07171813022D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.6445    5.6266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    6.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6445    4.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8435    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    5.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6445    8.4052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0424    8.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6445    1.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6445    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549    3.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   11.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   12.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744   14.0181    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
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  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  2  0  0  0  0
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 10 17  2  0  0  0  0
 12 18  2  0  0  0  0
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 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,002)
1729

>  <Formula> (1,002)
C27H22Cl2N4

>  <MolWeight> (1,002)
473.39638

>  <Item Name> (1,002)
Clofazimine

>  <Catalog Number> (1,002)
S4107

>  <Synonyms> (1,002)
N/A

>  <Target> (1,002)
Phospholipase (e.g. PLA)

>  <Form> (1,002)
Free Base

>  <URL> (1,002)
http://www.selleckchem.com/products/clofazimine.html

>  <CAS Number> (1,002)
2030-63-9

$$$$
Clorprenaline HCl.cdx
csChFnd80/07171813022D

 15 14  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8582    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7898    5.6024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,003)
1730

>  <Formula> (1,003)
C11H17Cl2NO

>  <MolWeight> (1,003)
250.16478

>  <Item Name> (1,003)
Clorprenaline HCL

>  <Catalog Number> (1,003)
S4135

>  <Synonyms> (1,003)
N/A

>  <Target> (1,003)
Adrenergic Receptor

>  <Form> (1,003)
Hydrochloride

>  <URL> (1,003)
http://www.selleckchem.com/products/clorprenaline-hcl.html

>  <CAS Number> (1,003)
6933-90-0

$$$$
Closantel.cdx
csChFnd80/07171813022D

 30 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
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   14.5593    5.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 27 30  1  0  0  0  0
 27 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,004)
1731

>  <Formula> (1,004)
C22H14Cl2I2N2O2

>  <MolWeight> (1,004)
663.0737

>  <Item Name> (1,004)
Closantel

>  <Catalog Number> (1,004)
S4106

>  <Synonyms> (1,004)
N/A

>  <Target> (1,004)
Antifection

>  <Form> (1,004)
Free Base

>  <URL> (1,004)
http://www.selleckchem.com/products/closantel.html

>  <CAS Number> (1,004)
57808-65-8

$$$$
Closantel sodium.cdx
csChFnd80/07171813022D

 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
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>  <Formula> (1,005)
C22H13Cl2I2N2NaO2

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685.05553

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Closantel Sodium

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S4105

>  <Synonyms> (1,005)
N/A

>  <Target> (1,005)
Antifection

>  <Form> (1,005)
Sodium Salt

>  <URL> (1,005)
http://www.selleckchem.com/products/closantel-sodium.html

>  <CAS Number> (1,005)
61438-64-0

$$$$
Coumarin.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,006)
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>  <Formula> (1,006)
C9H6O2

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146.14274

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Coumarin

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S4170

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N/A

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PARP

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Free Base

>  <URL> (1,006)
http://www.selleckchem.com/products/coumarin.html

>  <CAS Number> (1,006)
91-64-5

$$$$
Cyclandelate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,007)
1734

>  <Formula> (1,007)
C17H24O3

>  <MolWeight> (1,007)
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Cyclandelate

>  <Catalog Number> (1,007)
S4189

>  <Target> (1,007)
Others

>  <Form> (1,007)
Free Base

>  <URL> (1,007)
http://www.selleckchem.com/products/cyclandelate.html

>  <CAS Number> (1,007)
456-59-7

$$$$
Cyromazine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,008)
1735

>  <Formula> (1,008)
C6H10N6

>  <MolWeight> (1,008)
166.1838

>  <Item Name> (1,008)
Cyromazine

>  <Catalog Number> (1,008)
S4167

>  <Synonyms> (1,008)
N/A

>  <Target> (1,008)
Antifection

>  <Form> (1,008)
Free base

>  <URL> (1,008)
http://www.selleckchem.com/products/cyromazine.html

>  <CAS Number> (1,008)
66215-27-8

$$$$
Dexlansoprazole.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,009)
1736

>  <Formula> (1,009)
C16H14F3N3O2S

>  <MolWeight> (1,009)
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>  <Item Name> (1,009)
Dexlansoprazole

>  <Catalog Number> (1,009)
S4099

>  <Synonyms> (1,009)
N/A

>  <Target> (1,009)
Proton Pump

>  <Form> (1,009)
Free Base

>  <URL> (1,009)
http://www.selleckchem.com/products/dexlansoprazole.html

>  <CAS Number> (1,009)
138530-94-6

$$$$
Doxofylline.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,010)
1737

>  <Formula> (1,010)
C11H14N4O4

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Doxofylline

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S4164

>  <Synonyms> (1,010)
N/A

>  <Target> (1,010)
PDE

>  <Form> (1,010)
Free Base

>  <URL> (1,010)
http://www.selleckchem.com/products/doxofylline.html

>  <CAS Number> (1,010)
69975-86-6

$$$$
Dropropizine.cdx
csChFnd80/07171813022D

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>  <Formula> (1,011)
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>  <Item Name> (1,011)
Dropropizine

>  <Catalog Number> (1,011)
S4138

>  <Synonyms> (1,011)
N/A

>  <Target> (1,011)
Others

>  <Form> (1,011)
Free Base

>  <URL> (1,011)
http://www.selleckchem.com/products/dropropizine.html

>  <CAS Number> (1,011)
17692-31-8

$$$$
Eprazinone 2HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,012)
1739

>  <Formula> (1,012)
C24H34Cl2N2O2

>  <MolWeight> (1,012)
453.44496

>  <Item Name> (1,012)
Eprazinone 2HCl

>  <Catalog Number> (1,012)
S4137

>  <Synonyms> (1,012)
N/A

>  <Target> (1,012)
Free Base

>  <Form> (1,012)
HCl

>  <URL> (1,012)
http://www.selleckchem.com/products/eprazinone-2hcl.html

>  <CAS Number> (1,012)
10402-53-6

$$$$
Ethamsylate.cdx
csChFnd80/07171813022D

 17 16  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,013)
1740

>  <Formula> (1,013)
C10H17NO5S

>  <MolWeight> (1,013)
263.31068

>  <Item Name> (1,013)
Ethamsylate

>  <Catalog Number> (1,013)
S4152

>  <Synonyms> (1,013)
N/A

>  <Target> (1,013)
Immunology & Inflammation related

>  <Form> (1,013)
Diethylamine

>  <URL> (1,013)
http://www.selleckchem.com/products/ethamsylate.html

>  <CAS Number> (1,013)
2624-44-4

$$$$
Mezlocillin sodium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,014)
1743

>  <Formula> (1,014)
C21H24N5NaO8S2

>  <MolWeight> (1,014)
561.56373

>  <Item Name> (1,014)
Mezlocillin Sodium

>  <Catalog Number> (1,014)
S4179

>  <Synonyms> (1,014)
N/A

>  <Target> (1,014)
Antifection

>  <Form> (1,014)
Sodium Salt

>  <URL> (1,014)
http://www.selleckchem.com/products/mezlocillin-sodium.html

>  <CAS Number> (1,014)
42057-22-7

$$$$
nifuroxazide.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,015)
1744

>  <Formula> (1,015)
C12H9N3O5

>  <MolWeight> (1,015)
275.21696

>  <Item Name> (1,015)
Nifuroxazide

>  <Catalog Number> (1,015)
S4182

>  <Synonyms> (1,015)
N/A

>  <Target> (1,015)
STAT

>  <Form> (1,015)
Free Base

>  <URL> (1,015)
http://www.selleckchem.com/products/nifuroxazide.html

>  <CAS Number> (1,015)
965-52-6

$$$$
Penciclovir.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,016)
1746

>  <Formula> (1,016)
C10H15N5O3

>  <MolWeight> (1,016)
253.2578

>  <Item Name> (1,016)
Penciclovir

>  <Catalog Number> (1,016)
S4184

>  <Synonyms> (1,016)
N/A

>  <Target> (1,016)
Antifection

>  <Form> (1,016)
Free Base

>  <URL> (1,016)
http://www.selleckchem.com/products/penciclovir.html

>  <CAS Number> (1,016)
39809-25-1

$$$$
penfluridol.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,017)
1747

>  <Formula> (1,017)
C28H27ClF5NO

>  <MolWeight> (1,017)
523.965096

>  <Item Name> (1,017)
Penfluridol

>  <Catalog Number> (1,017)
S4151

>  <Synonyms> (1,017)
TLP-607

>  <Target> (1,017)
Dopamine Receptor

>  <Form> (1,017)
Free Base

>  <URL> (1,017)
http://www.selleckchem.com/products/penfluridol.html

>  <CAS Number> (1,017)
26864-56-2

$$$$
Sodium gluconate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,018)
1750

>  <Formula> (1,018)
C6H11NaO7

>  <MolWeight> (1,018)
218.13711

>  <Item Name> (1,018)
Sodium Gluconate

>  <Catalog Number> (1,018)
S4174

>  <Synonyms> (1,018)
N/A

>  <Target> (1,018)
Others

>  <Form> (1,018)
Sodium salt

>  <URL> (1,018)
http://www.selleckchem.com/products/sodium-gluconate.html

>  <CAS Number> (1,018)
527-07-1

$$$$
Sulfaguanidine.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,019)
1753

>  <Formula> (1,019)
C7H10N4O2S

>  <MolWeight> (1,019)
214.2449

>  <Item Name> (1,019)
Sulfaguanidine

>  <Catalog Number> (1,019)
S4175

>  <Synonyms> (1,019)
N/A

>  <Target> (1,019)
Antifection

>  <Form> (1,019)
Free Base

>  <URL> (1,019)
http://www.selleckchem.com/products/sulfaguanidine.html

>  <CAS Number> (1,019)
57-67-0

$$$$
tiratricol.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,020)
1754

>  <Formula> (1,020)
C14H9I3O4

>  <MolWeight> (1,020)
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>  <Item Name> (1,020)
Tiratricol

>  <Catalog Number> (1,020)
S4185

>  <Synonyms> (1,020)
N/A

>  <Target> (1,020)
Others

>  <Form> (1,020)
Free Base

>  <URL> (1,020)
http://www.selleckchem.com/products/tiratricol.html

>  <CAS Number> (1,020)
51-24-1

$$$$
triclabendazole.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,021)
1755

>  <Formula> (1,021)
C14H9Cl3N2OS

>  <MolWeight> (1,021)
359.65806

>  <Item Name> (1,021)
Triclabendazole

>  <Catalog Number> (1,021)
S4114

>  <Synonyms> (1,021)
N/A

>  <Target> (1,021)
Microtubule Associated

>  <Form> (1,021)
Free Base

>  <URL> (1,021)
http://www.selleckchem.com/products/triclabendazole.html

>  <CAS Number> (1,021)
68786-66-3

$$$$
Trometamol.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,022)
1756

>  <Formula> (1,022)
C4H11NO3

>  <MolWeight> (1,022)
121.13504

>  <Item Name> (1,022)
Trometamol

>  <Catalog Number> (1,022)
S4176

>  <Synonyms> (1,022)
N/A

>  <Target> (1,022)
COX

>  <Form> (1,022)
Free Base

>  <URL> (1,022)
http://www.selleckchem.com/products/trometamol.html

>  <CAS Number> (1,022)
77-86-1

$$$$
Uracil.cdx
csChFnd80/07171813022D

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M  END
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1757

>  <Formula> (1,023)
C4H4N2O2

>  <MolWeight> (1,023)
112.08676

>  <Item Name> (1,023)
Uracil

>  <Catalog Number> (1,023)
S4177

>  <Synonyms> (1,023)
N/A

>  <Target> (1,023)
Others

>  <Form> (1,023)
Free Base

>  <URL> (1,023)
http://www.selleckchem.com/products/uracil.html

>  <CAS Number> (1,023)
66-22-8

$$$$
Primaquine diphosphate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,024)
1768

>  <Formula> (1,024)
C15H27N3O9P2

>  <MolWeight> (1,024)
455.337102

>  <Item Name> (1,024)
Primaquine Diphosphate

>  <Catalog Number> (1,024)
S4237

>  <Synonyms> (1,024)
N/A

>  <Target> (1,024)
Antifection

>  <Form> (1,024)
Diphosphate

>  <URL> (1,024)
http://www.selleckchem.com/products/primaquine-diphosphate.html

>  <CAS Number> (1,024)
63-45-6

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,025)
1770

>  <Formula> (1,025)
C16H19N3O4S

>  <MolWeight> (1,025)
349.40476

>  <Item Name> (1,025)
Resminostat (RAS2410)

>  <Catalog Number> (1,025)
S2693

>  <Synonyms> (1,025)
4SC-201, BYK408740

>  <Target> (1,025)
HDAC

>  <Form> (1,025)
Free Base

>  <URL> (1,025)
http://www.selleckchem.com/products/resminostat-ras2410.html

>  <CAS Number> (1,025)
864814-88-0

$$$$
Aminothiazole.cdx
csChFnd80/07171813022D

  6  6  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,026)
1771

>  <Formula> (1,026)
C3H4N2S

>  <MolWeight> (1,026)
100.14226

>  <Item Name> (1,026)
Aminothiazole

>  <Catalog Number> (1,026)
S4198

>  <Synonyms> (1,026)
N/A

>  <Target> (1,026)
Antifection

>  <Form> (1,026)
Free Base

>  <URL> (1,026)
http://www.selleckchem.com/products/aminothiazole.html

>  <CAS Number> (1,026)
96-50-4

$$$$
Bemegride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,027)
1774

>  <Formula> (1,027)
C8H13NO2

>  <MolWeight> (1,027)
155.19432

>  <Item Name> (1,027)
Bemegride

>  <Catalog Number> (1,027)
S4197

>  <Synonyms> (1,027)
N/A

>  <Target> (1,027)
GABA Receptor

>  <Form> (1,027)
Free Base

>  <URL> (1,027)
http://www.selleckchem.com/products/bemegride.html

>  <CAS Number> (1,027)
64-65-3

$$$$
Broxyquinoline.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,028)
1776

>  <Formula> (1,028)
C9H5Br2NO

>  <MolWeight> (1,028)
302.9501

>  <Item Name> (1,028)
Broxyquinoline

>  <Catalog Number> (1,028)
S4195

>  <Synonyms> (1,028)
N/A

>  <Target> (1,028)
Antifection

>  <Form> (1,028)
Free Base

>  <URL> (1,028)
http://www.selleckchem.com/products/broxyquinoline.html

>  <CAS Number> (1,028)
521-74-4

$$$$
>  <Mol_ID> (1,029)
1777

>  <Item Name> (1,029)
Capreomycin Sulfate

>  <Catalog Number> (1,029)
S4234

>  <Synonyms> (1,029)
N/A

>  <Target> (1,029)
Antifection

>  <Form> (1,029)
Sulfate

>  <URL> (1,029)
http://www.selleckchem.com/products/capreomycin-sulfate.html

>  <CAS Number> (1,029)
1405-37-4

$$$$
Deoxycorticosterone acetate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,030)
1779

>  <Formula> (1,030)
C23H32O4

>  <MolWeight> (1,030)
372.49778

>  <Item Name> (1,030)
Deoxycorticosterone acetate

>  <Catalog Number> (1,030)
S4243

>  <Synonyms> (1,030)
N/A

>  <Target> (1,030)
Adrenergic Receptor

>  <Form> (1,030)
Free Base

>  <URL> (1,030)
http://www.selleckchem.com/products/deoxycorticosterone-acetate.html

>  <CAS Number> (1,030)
56-47-3

$$$$
dirithromycin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,031)
1780

>  <Formula> (1,031)
C42H78N2O14

>  <MolWeight> (1,031)
835.07372

>  <Item Name> (1,031)
Dirithromycin

>  <Catalog Number> (1,031)
S4213

>  <Synonyms> (1,031)
N/A

>  <Target> (1,031)
Antifection

>  <Form> (1,031)
Free Base

>  <URL> (1,031)
http://www.selleckchem.com/products/dirithromycin.html

>  <CAS Number> (1,031)
62013-04-1

$$$$
domiphen bromide.cdx
csChFnd80/07171813022D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,032)
1781

>  <Formula> (1,032)
C22H40BrNO

>  <MolWeight> (1,032)
414.4631

>  <Item Name> (1,032)
Domiphen Bromide

>  <Catalog Number> (1,032)
S4186

>  <Synonyms> (1,032)
N/A

>  <Target> (1,032)
Others

>  <Form> (1,032)
Free Base

>  <URL> (1,032)
http://www.selleckchem.com/products/domiphen-bromide.html

>  <CAS Number> (1,032)
538-71-6

$$$$
Doxylamine succinate.cdx
csChFnd80/07171813022D

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 13  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,033)
1782

>  <Formula> (1,033)
C21H28N2O5

>  <MolWeight> (1,033)
388.45742

>  <Item Name> (1,033)
Doxylamine Succinate

>  <Catalog Number> (1,033)
S4240

>  <Synonyms> (1,033)
N/A

>  <Target> (1,033)
Histamine Receptor

>  <Form> (1,033)
Succinate

>  <URL> (1,033)
http://www.selleckchem.com/products/doxylamine-succinate.html

>  <CAS Number> (1,033)
562-10-7

$$$$
Ethacridine lactate monohydrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,034)
1784

>  <Formula> (1,034)
C18H23N3O5

>  <MolWeight> (1,034)
361.39232

>  <Item Name> (1,034)
Ethacridine lactate monohydrate

>  <Catalog Number> (1,034)
S4196

>  <Synonyms> (1,034)
N/A

>  <Target> (1,034)
Antifection

>  <Form> (1,034)
Lactate

>  <URL> (1,034)
http://www.selleckchem.com/products/ethacridine-lactate-monohydrate.html

>  <CAS Number> (1,034)
6402-23-9

$$$$
Florfenicol.cdx
csChFnd80/07171813022D

 21 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,035)
1785

>  <Formula> (1,035)
C12H14Cl2FNO4S

>  <MolWeight> (1,035)
358.2132632

>  <Item Name> (1,035)
Florfenicol

>  <Catalog Number> (1,035)
S4201

>  <Synonyms> (1,035)
N/A

>  <Target> (1,035)
Antifection

>  <Form> (1,035)
Free Base

>  <URL> (1,035)
http://www.selleckchem.com/products/florfenicol.html

>  <CAS Number> (1,035)
73231-34-2

$$$$
Furaltadone HCl.cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  8  1  0  0  0  0
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 20 16  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,036)
1786

>  <Formula> (1,036)
C13H17ClN4O6

>  <MolWeight> (1,036)
360.75028

>  <Item Name> (1,036)
Furaltadone HCl

>  <Catalog Number> (1,036)
S4203

>  <Synonyms> (1,036)
N/A

>  <Target> (1,036)
Antifection

>  <Form> (1,036)
Hydrochloride

>  <URL> (1,036)
http://www.selleckchem.com/products/furaltadone-hcl.html

>  <CAS Number> (1,036)
3759-92-0

$$$$
Nefopam HCl.cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,037)
1787

>  <Formula> (1,037)
C17H20ClNO

>  <MolWeight> (1,037)
289.7998

>  <Item Name> (1,037)
Nefopam HCl

>  <Catalog Number> (1,037)
S4180

>  <Synonyms> (1,037)
N/A

>  <Target> (1,037)
Others

>  <Form> (1,037)
Hydrochloride

>  <URL> (1,037)
http://www.selleckchem.com/products/nefopam-hcl.html

>  <CAS Number> (1,037)
23327-57-3

$$$$
Nicardipine hydrochloride.cdx
csChFnd80/07171813022D

 36 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,038)
1788

>  <Formula> (1,038)
C26H30ClN3O6

>  <MolWeight> (1,038)
515.9859

>  <Item Name> (1,038)
Nicardipine HCl

>  <Catalog Number> (1,038)
S4181

>  <Synonyms> (1,038)
N/A

>  <Target> (1,038)
Calcium Channel

>  <Form> (1,038)
Hydrochloride

>  <URL> (1,038)
http://www.selleckchem.com/products/nicardipine-hcl.html

>  <CAS Number> (1,038)
54527-84-3

$$$$
Paromomycin Sulfate.cdx
csChFnd80/07171813022D

 50 52  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,039)
1790

>  <Formula> (1,039)
C23H47N5O18S

>  <MolWeight> (1,039)
713.70698

>  <Item Name> (1,039)
Paromomycin Sulfate

>  <Catalog Number> (1,039)
S4183

>  <Synonyms> (1,039)
N/A

>  <Target> (1,039)
Antifection

>  <Form> (1,039)
Sulfate

>  <URL> (1,039)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,039)
1263-89-4

$$$$
Phenazopyridine hydrochloride.cdx
csChFnd80/07171813022D

 17 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,040)
1791

>  <Formula> (1,040)
C11H12ClN5

>  <MolWeight> (1,040)
249.69948

>  <Item Name> (1,040)
Phenazopyridine HCl

>  <Catalog Number> (1,040)
S4235

>  <Synonyms> (1,040)
N/A

>  <Target> (1,040)
Sodium Channel

>  <Form> (1,040)
Hydrochloride

>  <URL> (1,040)
http://www.selleckchem.com/products/paromomycin-sulfate.html

>  <CAS Number> (1,040)
136-40-3

$$$$

csChFnd80/07171813022D

 37 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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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,041)
1792

>  <Formula> (1,041)
C26H24N6O4S

>  <MolWeight> (1,041)
516.57156

>  <Item Name> (1,041)
Proflavine Hemisulfate

>  <Catalog Number> (1,041)
S4236

>  <Synonyms> (1,041)
N/A

>  <Target> (1,041)
Antifection

>  <Form> (1,041)
Sulfate

>  <URL> (1,041)
http://www.selleckchem.com/products/proflavine-hemisulfate.html

>  <CAS Number> (1,041)
1811-28-5

$$$$
Serotonin hydrochloride.cdx
csChFnd80/07171813022D

 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> (1,042)
1793

>  <Formula> (1,042)
C10H13ClN2O

>  <MolWeight> (1,042)
212.67602

>  <Item Name> (1,042)
Serotonin HCl

>  <Catalog Number> (1,042)
S4244

>  <Synonyms> (1,042)
N/A

>  <Target> (1,042)
5-HT Receptor

>  <Form> (1,042)
Hydrochloride

>  <URL> (1,042)
http://www.selleckchem.com/products/serotonin-hcl.html

>  <CAS Number> (1,042)
153-98-0

$$$$
Sodium ascorbate.cdx
csChFnd80/07171813022D

 14 13  0  0  0  0  0  0  0  0999 V2000
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    3.7632    5.6559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5613    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
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 10 11  1  0  0  0  0
  9 12  1  6  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,043)
1794

>  <Formula> (1,043)
C6H10NaO6

>  <MolWeight> (1,043)
201.12977

>  <Item Name> (1,043)
Sodium ascorbate

>  <Catalog Number> (1,043)
S4245

>  <Synonyms> (1,043)
N/A

>  <Target> (1,043)
Vitamin

>  <Form> (1,043)
Sodium Salt

>  <URL> (1,043)
http://www.selleckchem.com/products/sodium-ascorbate.html

>  <CAS Number> (1,043)
134-03-2

$$$$
teriflunomide.cdx
csChFnd80/07171813022D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.8173    0.0000 N   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
  4  8  1  0  0  0  0
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  8 11  1  0  0  0  0
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 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
>  <Mol_ID> (1,044)
1796

>  <Formula> (1,044)
C12H9F3N2O2

>  <MolWeight> (1,044)
270.2072696

>  <Item Name> (1,044)
Teriflunomide

>  <Catalog Number> (1,044)
S4169

>  <Synonyms> (1,044)
N/A

>  <Target> (1,044)
Dehydrogenase,Immunology & Inflammation

>  <Form> (1,044)
Free Base

>  <URL> (1,044)
http://www.selleckchem.com/products/teriflunomide.html

>  <CAS Number> (1,044)
108605-62-5

$$$$
Valnemulin HCl.cdx
csChFnd80/07171813022D

 41 42  0  0  0  0  0  0  0  0999 V2000
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    4.5602    4.6851    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1553    4.6851    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8258    4.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8258    1.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   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
   15.6560    6.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3214    3.6776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
  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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  8  1  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
 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
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 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 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> (1,045)
1797

>  <Formula> (1,045)
C31H53ClN2O5S

>  <MolWeight> (1,045)
601.28092

>  <Item Name> (1,045)
Valnemulin HCl

>  <Catalog Number> (1,045)
S4216

>  <Synonyms> (1,045)
N/A

>  <Target> (1,045)
Antifection

>  <Form> (1,045)
Hydrochloride

>  <URL> (1,045)
http://www.selleckchem.com/products/valnemulin-hcl.html

>  <CAS Number> (1,045)
133868-46-9

$$$$
Bismuth subcitrate potassium.cdx
csChFnd80/07171813022D

 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
    1.1750    6.8542    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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    3.7683    5.3788    0.0000 O   0  0  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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    4.7624    4.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9707    2.2986    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9123    0.9439    0.0000 O   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
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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
  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
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 20 21  1  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> (1,046)
1800

>  <Formula> (1,046)
C12H10BiK5O14+2

>  <MolWeight> (1,046)
782.67128

>  <Item Name> (1,046)
Bismuth Subcitrate Potassium

>  <Catalog Number> (1,046)
S4093

>  <Synonyms> (1,046)
N/A

>  <Target> (1,046)
Antifection

>  <Form> (1,046)
Potassium salt

>  <URL> (1,046)
http://www.selleckchem.com/products/bismuth-subcitrate-potassium.html

>  <CAS Number> (1,046)
880149-29-1

$$$$
cetrimonium bromide.cdx
csChFnd80/07171813022D

 21 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9162    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5535    1.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7659    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1908    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6156    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3031    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2378    0.3529    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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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 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
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,047)
1802

>  <Formula> (1,047)
C19H42BrN

>  <MolWeight> (1,047)
364.44748

>  <Item Name> (1,047)
Cetrimonium Bromide

>  <Catalog Number> (1,047)
S4242

>  <Synonyms> (1,047)
N/A

>  <Target> (1,047)
Antifection

>  <Form> (1,047)
Free Base

>  <URL> (1,047)
http://www.selleckchem.com/products/cetrimonium-bromide.html

>  <CAS Number> (1,047)
57-09-0

$$$$
Colistin sulfate.cdx
csChFnd80/07171813022D

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
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1264-72-8

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

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23674-86-4

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Dopamine Receptor

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

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548-73-2

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 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,051)
1810

>  <Formula> (1,051)
C24H28N2O7S2

>  <MolWeight> (1,051)
520.61832

>  <Item Name> (1,051)
Eprosartan Mesylate

>  <Catalog Number> (1,051)
S4102

>  <Synonyms> (1,051)
N/A

>  <Target> (1,051)
RAAS

>  <Form> (1,051)
Mesylate

>  <URL> (1,051)
http://www.selleckchem.com/products/eprosartan-mesylate.html

>  <CAS Number> (1,051)
144143-96-4 

$$$$
Esmolol hydrochloride.cdx
csChFnd80/07171813022D

 22 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,052)
1811

>  <Formula> (1,052)
C16H26ClNO4

>  <MolWeight> (1,052)
331.83494

>  <Item Name> (1,052)
Esmolol HCl

>  <Catalog Number> (1,052)
S4100

>  <Synonyms> (1,052)
N/A

>  <Target> (1,052)
Adrenergic Receptor

>  <Form> (1,052)
Hydrochloride

>  <URL> (1,052)
http://www.selleckchem.com/products/esmolol-hcl.html

>  <CAS Number> (1,052)
81161-17-3, 81147-92-4(free base)

$$$$
Fenspiride hydrochloride.cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.2709    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6709    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1758    1.2124    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
 12 15  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  2  0  0  0  0
M  END
>  <Mol_ID> (1,053)
1812

>  <Formula> (1,053)
C15H21ClN2O2

>  <MolWeight> (1,053)
296.79244

>  <Item Name> (1,053)
Fenspiride HCl 
Fenspiride HCl

>  <Catalog Number> (1,053)
S4090

>  <Synonyms> (1,053)
N/A

>  <Target> (1,053)
Phospholipase (e.g. PLA)

>  <Form> (1,053)
Hydrochloride

>  <URL> (1,053)
http://www.selleckchem.com/products/Fenspiride-hcl.html

>  <CAS Number> (1,053)
5053-08-7, 5053-06-5(free base)

$$$$
flumethasone.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6331    3.4951    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 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2704    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2704    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  5  1  0  0  0  0
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 17 27  1  6  0  0  0
  7 28  1  6  0  0  0
 10 29  1  6  0  0  0
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M  END
>  <Mol_ID> (1,054)
1813

>  <Formula> (1,054)
C22H28F2O5

>  <MolWeight> (1,054)
410.4515264

>  <Item Name> (1,054)
Flumethasone

>  <Catalog Number> (1,054)
S4088

>  <Synonyms> (1,054)
N/A

>  <Target> (1,054)
Glucocorticoid Receptor

>  <Form> (1,054)
Free Base

>  <URL> (1,054)
http://www.selleckchem.com/products/flumethasone.html

>  <CAS Number> (1,054)
2135-17-3

$$$$
Halcinonide.cdx
csChFnd80/07171813022D

 33 37  0  0  0  0  0  0  0  0999 V2000
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  9 23  1  1  0  0  0
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 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,055)
1815

>  <Formula> (1,055)
C24H32ClFO5

>  <MolWeight> (1,055)
454.9592832

>  <Item Name> (1,055)
Halcinonide

>  <Catalog Number> (1,055)
S4098

>  <Synonyms> (1,055)
N/A

>  <Target> (1,055)
Immunology & Inflammation related

>  <Form> (1,055)
Free Base

>  <URL> (1,055)
http://www.selleckchem.com/products/halcinonide.html

>  <CAS Number> (1,055)
3093-35-4

$$$$
halobetasol propionate .cdx
csChFnd80/07171813022D

 35 38  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> (1,056)
1816

>  <Formula> (1,056)
C25H31ClF2O5

>  <MolWeight> (1,056)
484.9604464

>  <Item Name> (1,056)
Halobetasol Propionate

>  <Catalog Number> (1,056)
S4089

>  <Synonyms> (1,056)
N/A

>  <Target> (1,056)
Phospholipase (e.g. PLA)

>  <Form> (1,056)
Free Base

>  <URL> (1,056)
http://www.selleckchem.com/products/halobetasol-propionate.html

>  <CAS Number> (1,056)
66852-54-8

$$$$
ifenprodil tartrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,057)
1817

>  <Formula> (1,057)
C46H60N2O10

>  <MolWeight> (1,057)
800.976

>  <Item Name> (1,057)
Ifenprodil Tartrate

>  <Catalog Number> (1,057)
S4091

>  <Synonyms> (1,057)
N/A

>  <Target> (1,057)
NMDAR

>  <Form> (1,057)
Tartrate

>  <URL> (1,057)
http://www.selleckchem.com/products/ifenprodil-tartrate.html

>  <CAS Number> (1,057)
23210-58-4

$$$$
levobetaxolol hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,058)
1820

>  <Formula> (1,058)
C18H30ClNO3

>  <MolWeight> (1,058)
343.8887

>  <Item Name> (1,058)
Levobetaxolol HCl

>  <Catalog Number> (1,058)
S4085

>  <Synonyms> (1,058)
N/A

>  <Target> (1,058)
Adrenergic Receptor

>  <Form> (1,058)
Hydrochloride

>  <URL> (1,058)
http://www.selleckchem.com/products/levobetaxolol-hcl.html

>  <CAS Number> (1,058)
116209-55-3, 93221-48-8(free base)

$$$$
lomerizine hydrochloride.cdx
csChFnd80/07171813022D

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   16.7124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   22.4270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4270    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
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  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
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  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
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 15 19  2  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
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 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,059)
1821

>  <Formula> (1,059)
C27H32Cl2F2N2O3

>  <MolWeight> (1,059)
541.4573864

>  <Item Name> (1,059)
Lomerizine 2HCl

>  <Catalog Number> (1,059)
S4084

>  <Synonyms> (1,059)
N/A

>  <Target> (1,059)
Calcium Channel

>  <Form> (1,059)
Dihydrochloride

>  <URL> (1,059)
http://www.selleckchem.com/products/lomerizine-hcl.html

>  <CAS Number> (1,059)
101477-54-7, 101477-55-8(free base)

$$$$
loxapine succinate.cdx
csChFnd80/07171813022D

 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
    5.2043    9.7016    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2243    8.3678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2031    5.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3597    7.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2357    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8691    6.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0122    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3749    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2247    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0122    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
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 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 31  2  0  0  0  0
M  END
>  <Mol_ID> (1,060)
1822

>  <Formula> (1,060)
C22H24ClN3O5

>  <MolWeight> (1,060)
445.89606

>  <Item Name> (1,060)
Loxapine Succinate

>  <Catalog Number> (1,060)
S4086

>  <Synonyms> (1,060)
N/A

>  <Target> (1,060)
5-HT Receptor,Dopamine Receptor

>  <Form> (1,060)
Succinate

>  <URL> (1,060)
http://www.selleckchem.com/products/loxapine-succinate.html

>  <CAS Number> (1,060)
27833-64-3

$$$$
Pramoxine hydrochloride.cdx
csChFnd80/07171813022D

 22 22  0  0  0  0  0  0  0  0999 V2000
   14.6182    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2536    2.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    0.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2989    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7196    2.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7196    4.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5072    4.2559    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
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,061)
1829

>  <Formula> (1,061)
C17H28ClNO3

>  <MolWeight> (1,061)
329.86212

>  <Item Name> (1,061)
Pramoxine HCl

>  <Catalog Number> (1,061)
S4092

>  <Synonyms> (1,061)
N/A

>  <Target> (1,061)
Others

>  <Form> (1,061)
Hydrochloride

>  <URL> (1,061)
http://www.selleckchem.com/products/pramoxine-hcl.html

>  <CAS Number> (1,061)
637-58-1

$$$$
spiramycin.cdx
csChFnd80/07171813022D

 59 62  0  0  0  0  0  0  0  0999 V2000
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  2 20  1  6  0  0  0
  7 21  1  6  0  0  0
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 41 47  1  6  0  0  0
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M  END
>  <Mol_ID> (1,062)
1834

>  <Formula> (1,062)
C43H74N2O14

>  <MolWeight> (1,062)
843.05266

>  <Item Name> (1,062)
Spiramycin

>  <Catalog Number> (1,062)
S4082

>  <Synonyms> (1,062)
N/A

>  <Target> (1,062)
Antifection

>  <Form> (1,062)
Free Base

>  <URL> (1,062)
http://www.selleckchem.com/products/spiramycin.html

>  <CAS Number> (1,062)
8025-81-8

$$$$
tetramisole hydrochloride.cdx
csChFnd80/07171813022D

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5086-74-8, 5036-02-2(free base)

$$$$
Vitamin A acetate.cdx
csChFnd80/07171813022D

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Free Base

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http://www.selleckchem.com/products/vitamin-a-acetate.html

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127-47-9

$$$$
Voglibose.cdx
csChFnd80/07171813022D

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83480-29-9

$$$$
14028-44-5.cdx
csChFnd80/07171813022D

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N/A

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GlyT

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Free Base

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

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14028-44-5

$$$$
Azaperone.cdx
csChFnd80/07171813022D

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Dopamine Receptor

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Free Base

>  <URL> (1,067)
http://www.selleckchem.com/products/azaperone.html

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1649-18-9

$$$$
Benzbromarone .cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,068)
1843

>  <Formula> (1,068)
C17H12Br2O3

>  <MolWeight> (1,068)
424.08338

>  <Item Name> (1,068)
Benzbromarone

>  <Catalog Number> (1,068)
S4221

>  <Synonyms> (1,068)
N/A

>  <Target> (1,068)
P450 (e.g. CYP17)

>  <Form> (1,068)
Free Base

>  <URL> (1,068)
http://www.selleckchem.com/products/benzbromarone.html

>  <CAS Number> (1,068)
3562-84-3

$$$$
Benzethonium chloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,069)
1844

>  <Formula> (1,069)
C27H42ClNO2

>  <MolWeight> (1,069)
448.08088

>  <Item Name> (1,069)
Benzethonium chloride

>  <Catalog Number> (1,069)
S4162

>  <Synonyms> (1,069)
N/A

>  <Target> (1,069)
AChR

>  <Form> (1,069)
Chloride

>  <URL> (1,069)
http://www.selleckchem.com/products/benzethonium-chloride.html

>  <CAS Number> (1,069)
121-54-0

$$$$
Benzocaine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,070)
1845

>  <Formula> (1,070)
C9H11NO2

>  <MolWeight> (1,070)
165.18914

>  <Item Name> (1,070)
Benzocaine

>  <Catalog Number> (1,070)
S4210

>  <Synonyms> (1,070)
N/A

>  <Target> (1,070)
Sodium Channel

>  <Form> (1,070)
Free Base

>  <URL> (1,070)
http://www.selleckchem.com/products/benzocaine.html

>  <CAS Number> (1,070)
94-09-7

$$$$
Benzoic acid .cdx
csChFnd80/07171813022D

  9  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,071)
1846

>  <Formula> (1,071)
C7H6O2

>  <MolWeight> (1,071)
122.12134

>  <Item Name> (1,071)
Benzoic acid

>  <Catalog Number> (1,071)
S4161

>  <Synonyms> (1,071)
N/A

>  <Target> (1,071)
Others

>  <Form> (1,071)
Free Base

>  <URL> (1,071)
http://www.selleckchem.com/products/benzoic-acid.html

>  <CAS Number> (1,071)
65-85-0 

$$$$
Benzylpenicillin sodium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,072)
1847

>  <Formula> (1,072)
C16H17N2NaO4S

>  <MolWeight> (1,072)
356.37195

>  <Item Name> (1,072)
Penicillin G Sodium

>  <Catalog Number> (1,072)
S4160

>  <Synonyms> (1,072)
N/A

>  <Target> (1,072)
Antifection

>  <Form> (1,072)
Sodium Salt

>  <URL> (1,072)
http://www.selleckchem.com/products/benzylpenicillin-sodium.html

>  <CAS Number> (1,072)
69-57-8

$$$$
Bezafibrate .cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,073)
1848

>  <Formula> (1,073)
C19H20ClNO4

>  <MolWeight> (1,073)
361.8194

>  <Item Name> (1,073)
Bezafibrate

>  <Catalog Number> (1,073)
S4159

>  <Synonyms> (1,073)
N/A

>  <Target> (1,073)
PPAR

>  <Form> (1,073)
Free Base

>  <URL> (1,073)
http://www.selleckchem.com/products/bezafibrate.html

>  <CAS Number> (1,073)
41859-67-0

$$$$
chlorocresol.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,074)
1849

>  <Formula> (1,074)
C7H7ClO

>  <MolWeight> (1,074)
142.58288

>  <Item Name> (1,074)
Chlorocresol

>  <Catalog Number> (1,074)
S4209

>  <Synonyms> (1,074)
N/A

>  <Target> (1,074)
Calcium Channel

>  <Form> (1,074)
Free Base

>  <URL> (1,074)
http://www.selleckchem.com/products/chlorocresol.html

>  <CAS Number> (1,074)
59-50-7

$$$$
Chromocarb.cdx
csChFnd80/07171813022D

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C10H6O4

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Chromocarb

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

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4940-39-0

$$$$
Clofibric acid.cdx
csChFnd80/07171813022D

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C10H11ClO3

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Clofibric acid

>  <Catalog Number> (1,076)
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>  <Synonyms> (1,076)
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>  <Target> (1,076)
PPAR

>  <Form> (1,076)
Free Base

>  <URL> (1,076)
http://www.selleckchem.com/products/clofibric-acid.html

>  <CAS Number> (1,076)
882-09-7

$$$$
Cysteamine HCl.cdx
csChFnd80/07171813022D

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1852

>  <Formula> (1,077)
C2H8ClNS

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>  <Item Name> (1,077)
Cysteamine HCl

>  <Catalog Number> (1,077)
S4206

>  <Synonyms> (1,077)
N/A

>  <Target> (1,077)
Others

>  <Form> (1,077)
Hydrochloride

>  <URL> (1,077)
http://www.selleckchem.com/products/cysteamine-hcl.html

>  <CAS Number> (1,077)
156-57-0

$$$$
fidaxomicin.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,078)
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>  <Formula> (1,078)
C52H74Cl2O18

>  <MolWeight> (1,078)
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>  <Item Name> (1,078)
Fidaxomicin

>  <Catalog Number> (1,078)
S4227

>  <Synonyms> (1,078)
N/A

>  <Target> (1,078)
DNA/RNA Synthes

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Free Base

>  <URL> (1,078)
http://www.selleckchem.com/products/fidaxomicin.html

>  <CAS Number> (1,078)
873857-62-6

$$$$
Fluorometholone Acetate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,079)
1856

>  <Formula> (1,079)
C24H31FO5

>  <MolWeight> (1,079)
418.4983432

>  <Item Name> (1,079)
Fluorometholone Acetate

>  <Catalog Number> (1,079)
S4228

>  <Synonyms> (1,079)
N/A

>  <Target> (1,079)
Glucocorticoid Receptor

>  <Form> (1,079)
Free Base

>  <URL> (1,079)
http://www.selleckchem.com/products/fluorometholone-acetate.html

>  <CAS Number> (1,079)
3801-06-7

$$$$
Isosorbide.cdx
csChFnd80/07171813022D

 12 13  0  0  0  0  0  0  0  0999 V2000
    1.1287    1.8326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.2831    3.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6 12  1  1  0  0  0
M  END
>  <Mol_ID> (1,080)
1857

>  <Formula> (1,080)
C6H10O4

>  <MolWeight> (1,080)
146.1412

>  <Item Name> (1,080)
Isosorbide

>  <Catalog Number> (1,080)
S4204

>  <Synonyms> (1,080)
N/A

>  <Target> (1,080)
Others

>  <Form> (1,080)
Free Base

>  <URL> (1,080)
http://www.selleckchem.com/products/isosorbide.html

>  <CAS Number> (1,080)
652-67-5 

$$$$
Liothyronine Sodium.cdx
csChFnd80/07171813022D

 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
    6.0703    3.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6387    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,081)
1858

>  <Formula> (1,081)
C15H11I3NNaO4

>  <MolWeight> (1,081)
672.95532

>  <Item Name> (1,081)
Liothyronine Sodium

>  <Catalog Number> (1,081)
S4217

>  <Synonyms> (1,081)
N/A

>  <Target> (1,081)
Others

>  <Form> (1,081)
Free Base

>  <URL> (1,081)
http://www.selleckchem.com/products/liothyronine-sodium.html

>  <CAS Number> (1,081)
55-06-1

$$$$
mevastatin.cdx
csChFnd80/07171813022D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.7009    8.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4803    6.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2739    8.4028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9073    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2739    7.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    9.1013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0604    2.1023    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8539    2.8008    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6405    4.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8539    4.1978    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  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  6  0  0  0
  7  4  1  0  0  0  0
  5  7  1  0  0  0  0
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 18  8  1  0  0  0  0
 11 10  1  0  0  0  0
 13 10  1  0  0  0  0
 15 10  1  0  0  0  0
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 16 13  1  0  0  0  0
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 26 22  1  0  0  0  0
 22 27  1  1  0  0  0
 23 24  1  0  0  0  0
 28 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,082)
1859

>  <Formula> (1,082)
C23H34O5

>  <MolWeight> (1,082)
390.51306

>  <Item Name> (1,082)
Mevastatin

>  <Catalog Number> (1,082)
S4223

>  <Synonyms> (1,082)
N/A

>  <Target> (1,082)
HMG-CoA Reductase

>  <Form> (1,082)
Free Base

>  <URL> (1,082)
http://www.selleckchem.com/products/mevastatin.html

>  <CAS Number> (1,082)
73573-88-3

$$$$
Mexiletine Hydrochloride.cdx
csChFnd80/07171813022D

 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
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    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
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
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  2  6  1  0  0  0  0
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  4  9  1  0  0  0  0
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 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,083)
1860

>  <Formula> (1,083)
C11H18ClNO

>  <MolWeight> (1,083)
215.71972

>  <Item Name> (1,083)
Mexiletine HCl

>  <Catalog Number> (1,083)
S4225

>  <Synonyms> (1,083)
N/A

>  <Target> (1,083)
Sodium Channel

>  <Form> (1,083)
Hydrochloride

>  <URL> (1,083)
http://www.selleckchem.com/products/mexiletine-hcl.html

>  <CAS Number> (1,083)
5370-01-4

$$$$
Minocycline hydrochloride.cdx
csChFnd80/07171813022D

 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
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    8.4924    5.5778    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
>  <Mol_ID> (1,084)
1861

>  <Formula> (1,084)
C23H28ClN3O7

>  <MolWeight> (1,084)
493.93732

>  <Item Name> (1,084)
Minocycline HCl

>  <Catalog Number> (1,084)
S4226

>  <Synonyms> (1,084)
N/A

>  <Target> (1,084)
Antifectio

>  <Form> (1,084)
Hydrochloride

>  <URL> (1,084)
http://www.selleckchem.com/products/minocycline-hcl.html

>  <CAS Number> (1,084)
13614-98-7

$$$$
Montelukast sodium.cdx
csChFnd80/07171813022D

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 40 41  2  0  0  0  0
M  END
>  <Mol_ID> (1,085)
1862

>  <Formula> (1,085)
C35H35ClNNaO3S

>  <MolWeight> (1,085)
608.16507

>  <Item Name> (1,085)
Montelukast Sodium

>  <Catalog Number> (1,085)
S4211

>  <Synonyms> (1,085)
N/A

>  <Target> (1,085)
LTR

>  <Form> (1,085)
Sodium Salt

>  <URL> (1,085)
http://www.selleckchem.com/products/montelukast-sodium.html

>  <CAS Number> (1,085)
151767-02-1

$$$$
Oxaprozin.cdx
csChFnd80/07171813022D

 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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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,086)
1865

>  <Formula> (1,086)
C18H15NO3

>  <MolWeight> (1,086)
293.3166

>  <Item Name> (1,086)
Oxaprozin

>  <Catalog Number> (1,086)
S4230

>  <Synonyms> (1,086)
N/A

>  <Target> (1,086)
COX

>  <Form> (1,086)
Free Base

>  <URL> (1,086)
http://www.selleckchem.com/products/oxaprozin.html

>  <CAS Number> (1,086)
21256-18-8

$$$$
Oxybuprocaine HCl.cdx
csChFnd80/07171813022D

 23 22  0  0  0  0  0  0  0  0999 V2000
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 10 13  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,087)
1866

>  <Formula> (1,087)
C17H29ClN2O3

>  <MolWeight> (1,087)
344.87676

>  <Item Name> (1,087)
Oxybuprocaine HCl

>  <Catalog Number> (1,087)
S4229

>  <Synonyms> (1,087)
N/A

>  <Target> (1,087)
Sodium Channel

>  <Form> (1,087)
Hydrochloride

>  <URL> (1,087)
http://www.selleckchem.com/products/oxybuprocaine-hcl.html

>  <CAS Number> (1,087)
5987-82-6

$$$$
pheniramine maleate .cdx
csChFnd80/07171813022D

 26 26  0  0  0  0  0  0  0  0999 V2000
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,088)
1867

>  <Formula> (1,088)
C20H24N2O4

>  <MolWeight> (1,088)
356.41556

>  <Item Name> (1,088)
Pheniramine Maleate

>  <Catalog Number> (1,088)
S4045

>  <Synonyms> (1,088)
N/A

>  <Target> (1,088)
Histamine Receptor

>  <Form> (1,088)
Maleate

>  <URL> (1,088)
http://www.selleckchem.com/products/pheniramine-maleate.html

>  <CAS Number> (1,088)
132-20-7

$$$$
Pilocarpine HCl.cdx
csChFnd80/07171813022D

 16 16  0  0  0  0  0  0  0  0999 V2000
    2.1810    3.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.1766    2.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0817    6.4521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  1  0  0  0  0
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 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (1,089)
1868

>  <Formula> (1,089)
C11H17ClN2O2

>  <MolWeight> (1,089)
244.71788

>  <Item Name> (1,089)
Pilocarpine HCl

>  <Catalog Number> (1,089)
S4231

>  <Synonyms> (1,089)
N/A

>  <Target> (1,089)
AChR

>  <Form> (1,089)
Hydrochloride

>  <URL> (1,089)
http://www.selleckchem.com/products/pilocarpine-hcl.html

>  <CAS Number> (1,089)
54-71-7

$$$$
Piperacillin Sodium.cdx
csChFnd80/07171813022D

 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
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    7.2498    4.6051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0624    5.0161    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    2.7366    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2498    3.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168    5.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8779    3.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0624    1.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2481    2.2037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8024    2.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6217    9.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0168   10.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1919    8.7342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6025   10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1919   11.5852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
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 32 33  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (1,090)
1869

>  <Formula> (1,090)
C23H26N5NaO7S

>  <MolWeight> (1,090)
539.53661

>  <Item Name> (1,090)
Piperacillin Sodium

>  <Catalog Number> (1,090)
S4222

>  <Synonyms> (1,090)
N/A

>  <Target> (1,090)
Antifection

>  <Form> (1,090)
Sodium Salt

>  <URL> (1,090)
http://www.selleckchem.com/products/piperacillin-sodium.html

>  <CAS Number> (1,090)
59703-84-3

$$$$
Tolperisone HCl.cdx
csChFnd80/07171813022D

 19 19  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.1542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8413    8.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1763    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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 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,091)
1870

>  <Formula> (1,091)
C16H24ClNO

>  <MolWeight> (1,091)
281.82086

>  <Item Name> (1,091)
Tolperisone HCl

>  <Catalog Number> (1,091)
S4200

>  <Synonyms> (1,091)
N/A

>  <Target> (1,091)
Sodium Channel

>  <Form> (1,091)
Hydrochloride

>  <URL> (1,091)
http://www.selleckchem.com/products/tolperisone-hcl.html

>  <CAS Number> (1,091)
3644-61-9

$$$$
Zoxazolamine.cdx
csChFnd80/07171813022D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4517    0.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6229    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8887    2.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8389    0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0101    1.9172    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  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,092)
1871

>  <Formula> (1,092)
C7H5ClN2O

>  <MolWeight> (1,092)
168.5804

>  <Item Name> (1,092)
Zoxazolamine

>  <Catalog Number> (1,092)
S4233

>  <Synonyms> (1,092)
N/A

>  <Target> (1,092)
Others

>  <Form> (1,092)
Free Base

>  <URL> (1,092)
http://www.selleckchem.com/products/zoxazolamine.html

>  <CAS Number> (1,092)
61-80-3

$$$$
Prucalopride succinat.cdx
csChFnd80/07171813022D

 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
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   12.1768    1.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4421    1.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0094    2.4250    0.0000 C   0  0  0  0  0  0  0  0  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> (1,093)
1876

>  <Formula> (1,093)
C22H32ClN3O7

>  <MolWeight> (1,093)
485.95838

>  <Item Name> (1,093)
Prucalopride Succinat

>  <Catalog Number> (1,093)
S4247

>  <Synonyms> (1,093)
N/A

>  <Target> (1,093)
5-HT Receptor

>  <Form> (1,093)
Succinat

>  <URL> (1,093)
http://www.selleckchem.com/products/prucalopride-succinat.html

>  <CAS Number> (1,093)
179474-85-2

$$$$
Bromfenac sodium.cdx
csChFnd80/07171813022D

 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
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  8 12  1  0  0  0  0
  7 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,094)
1877

>  <Formula> (1,094)
C15H11BrNNaO3

>  <MolWeight> (1,094)
356.14651

>  <Item Name> (1,094)
Bromfenac Sodium

>  <Catalog Number> (1,094)
S4248

>  <Synonyms> (1,094)
N/A

>  <Target> (1,094)
COX

>  <Form> (1,094)
Sodium Salt

>  <URL> (1,094)
http://www.selleckchem.com/products/bromfenac-sodium.html

>  <CAS Number> (1,094)
91714-93-1

$$$$
Flopropione.cdx
csChFnd80/07171813022D

 13 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,095)
1878

>  <Formula> (1,095)
C9H10O4

>  <MolWeight> (1,095)
182.1733

>  <Item Name> (1,095)
Flopropione

>  <Catalog Number> (1,095)
S4249

>  <Synonyms> (1,095)
N/A

>  <Target> (1,095)
5-HT Receptor

>  <Form> (1,095)
Free Base

>  <URL> (1,095)
http://www.selleckchem.com/products/flopropione.html

>  <CAS Number> (1,095)
2295-58-1

$$$$
S4246.cdx
csChFnd80/07171813022D

 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
    1.2853    4.4285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   12
relative stereochemistry
M  END
>  <Mol_ID> (1,096)
1879

>  <Formula> (1,096)
C9H12ClNR

>  <MolWeight> (1,096)
169.65128

>  <Item Name> (1,096)
Tranylcypromine (2-PCPA) HCl

>  <Catalog Number> (1,096)
S4246

>  <Synonyms> (1,096)
N/A

>  <Target> (1,096)
MAO

>  <Form> (1,096)
Hydrochloride

>  <URL> (1,096)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

>  <CAS Number> (1,096)
4548-34-9

$$$$
Sulfamethoxypyridazine.cdx
csChFnd80/07171813022D

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 10 11  1  0  0  0  0
  4 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,097)
1880

>  <Formula> (1,097)
C11H12N4O3S

>  <MolWeight> (1,097)
280.30298

>  <Item Name> (1,097)
Sulfamethoxypyridazine

>  <Catalog Number> (1,097)
S4250

>  <Synonyms> (1,097)
N/A

>  <Target> (1,097)
Antifection

>  <Form> (1,097)
Free Base

>  <URL> (1,097)
http://www.selleckchem.com/products/sulfamethoxypyridazine.html

>  <CAS Number> (1,097)
80-35-3

$$$$
Mechlorethamine HCl.cdx
csChFnd80/07171813022D

  9  7  0  0  0  0  0  0  0  0999 V2000
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    6.0621    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,098)
1882

>  <Formula> (1,098)
C5H12Cl3N

>  <MolWeight> (1,098)
192.51448

>  <Item Name> (1,098)
Mechlorethamine HCl

>  <Catalog Number> (1,098)
S4252

>  <Synonyms> (1,098)
N/A

>  <Target> (1,098)
DNA/RNA Synthesis

>  <Form> (1,098)
Hydrochloride

>  <URL> (1,098)
http://www.selleckchem.com/products/mechlorethamine-hcl.html

>  <CAS Number> (1,098)
55-86-7

$$$$
Epinastine HCl.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,099)
1883

>  <Formula> (1,099)
C16H16ClN3

>  <MolWeight> (1,099)
285.77134

>  <Item Name> (1,099)
Epinastine HCl

>  <Catalog Number> (1,099)
S4253

>  <Synonyms> (1,099)
N/A

>  <Target> (1,099)
Histamine Receptor

>  <Form> (1,099)
Hydrochloride

>  <URL> (1,099)
http://www.selleckchem.com/products/epinastine-hcl.html

>  <CAS Number> (1,099)
108929-04-0

$$$$
CEPHALEXIN (cephalexin).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,100)
1893

>  <Formula> (1,100)
C16H17N3O4S

>  <MolWeight> (1,100)
347.38888

>  <Item Name> (1,100)
Cephalexin (Cefalexin)

>  <Catalog Number> (1,100)
S1502

>  <Synonyms> (1,100)
Cefalexin, Alcephin, Cefablan, keflex,Cefadin, Tepaxin

>  <Target> (1,100)
Antifection

>  <Form> (1,100)
Free Base

>  <URL> (1,100)
http://www.selleckchem.com/products/Cephalexin-(Cefalexin).html

>  <CAS Number> (1,100)
15686-71-2

$$$$
Bazedoxifene acetate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,101)
1895

>  <Formula> (1,101)
C32H38N2O5

>  <MolWeight> (1,101)
530.65452

>  <Item Name> (1,101)
Bazedoxifene Acetate

>  <Catalog Number> (1,101)
S2167

>  <Synonyms> (1,101)
N/A

>  <Target> (1,101)
Estrogen/progestogen Receptor

>  <Form> (1,101)
Acetate

>  <URL> (1,101)
http://www.selleckchem.com/products/Bazedoxifene-acetate.html

>  <CAS Number> (1,101)
198481-33-3

$$$$
Verapamil HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,102)
1902

>  <Formula> (1,102)
C27H39ClN2O4

>  <MolWeight> (1,102)
491.06256

>  <Item Name> (1,102)
Verapamil HCl

>  <Catalog Number> (1,102)
S4202

>  <Synonyms> (1,102)
N/A

>  <Target> (1,102)
Calcium Channel

>  <Form> (1,102)
Hydrochloride

>  <URL> (1,102)
http://www.selleckchem.com/products/verapami-hcl.html

>  <CAS Number> (1,102)
152-11-4

$$$$
untitled.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,103)
1904

>  <Formula> (1,103)
C13H16N6O4

>  <MolWeight> (1,103)
320.30394

>  <Item Name> (1,103)
Triciribine

>  <Catalog Number> (1,103)
S1117

>  <Synonyms> (1,103)
N/A

>  <Target> (1,103)
Akt

>  <Form> (1,103)
Free Base

>  <URL> (1,103)
http://www.selleckchem.com/products/Triciribine.html

>  <CAS Number> (1,103)
35943-35-2

$$$$
Bosentan.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,104)
1906

>  <Formula> (1,104)
C27H29N5O6S

>  <MolWeight> (1,104)
551.61406

>  <Item Name> (1,104)
Bosentan

>  <Catalog Number> (1,104)
S4220

>  <Synonyms> (1,104)
N/A

>  <Target> (1,104)
Endothelin Receptor

>  <Form> (1,104)
Free Base

>  <URL> (1,104)
http://www.selleckchem.com/products/bosentan.html

>  <CAS Number> (1,104)
147536-97-8

$$$$
MEK162 (ARRY-438162).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,105)
1908

>  <Formula> (1,105)
C17H15BrF2N4O3

>  <MolWeight> (1,105)
441.2268064

>  <Item Name> (1,105)
Binimetinib (MEK162, ARRY-162, ARRY-438162)

>  <Catalog Number> (1,105)
S7007

>  <Synonyms> (1,105)
N/A

>  <Target> (1,105)
MEK

>  <Form> (1,105)
Free Base

>  <URL> (1,105)
http://www.selleckchem.com/products/mek162.html

>  <CAS Number> (1,105)
606143-89-9

$$$$
Fosbretabulin disodium (Combretastatin A-4 phosphate disodium, CA4P disodium).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,106)
1916

>  <Formula> (1,106)
C18H19Na2O8P

>  <MolWeight> (1,106)
440.291961

>  <Item Name> (1,106)
Fosbretabulin (Combretastatin A4 Phosphate, 

>  <Catalog Number> (1,106)
S7204

>  <Synonyms> (1,106)
N/A

>  <Target> (1,106)
Microtubule Associated

>  <Form> (1,106)
Disodium salt

>  <URL> (1,106)
http://www.selleckchem.com/products/fosbretabulin-disodium-combretastatin-a-4-phosphate-dis

>  <CAS Number> (1,106)
168555-66-6

$$$$
Bardoxolone Methyl.cdx
csChFnd80/07171813022D

 40 44  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,107)
1933

>  <Formula> (1,107)
C32H43NO4

>  <MolWeight> (1,107)
505.68812

>  <Item Name> (1,107)
Bardoxolone Methyl

>  <Catalog Number> (1,107)
S8078

>  <Synonyms> (1,107)
RTA 402, TP-155, NSC 713200, CDDO Methyl Ester

>  <Target> (1,107)
I¦ÊB/IKK

>  <Form> (1,107)
Free Base

>  <URL> (1,107)
http://www.selleckchem.com/products/bardoxolone-methyl.html

>  <CAS Number> (1,107)
218600-53-4

$$$$
CO-1686(AVL-301).cdx
csChFnd80/07171813022D

 40 43  0  0  0  0  0  0  0  0999 V2000
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51543-39-6

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Chlorpheniramine Maleate.cdx
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Emtricitabine.cdx
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Mitotane.cdx
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C14H10Cl4

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Lysodren, Mitotan

>  <Target> (1,113)
Others

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Free Base

>  <URL> (1,113)
http://www.selleckchem.com/products/Mitotane(Lysodren).html

>  <CAS Number> (1,113)
53-19-0

$$$$
Nisoldipine.cdx
csChFnd80/07171813022D

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M  END
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2063

>  <Formula> (1,114)
C20H24N2O6

>  <MolWeight> (1,114)
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>  <Item Name> (1,114)
Nisoldipine

>  <Catalog Number> (1,114)
S1748

>  <Synonyms> (1,114)
Zadipina

>  <Target> (1,114)
Calcium Channel

>  <Form> (1,114)
Free Base

>  <URL> (1,114)
http://www.selleckchem.com/products/Nisoldipine(Sular).html

>  <CAS Number> (1,114)
63675-72-9

$$$$
METI-DERM (prednisolone).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,115)
2064

>  <Formula> (1,115)
C21H28O5

>  <MolWeight> (1,115)
360.44402

>  <Item Name> (1,115)
Prednisolone

>  <Catalog Number> (1,115)
S1737

>  <Synonyms> (1,115)
Decaprednil, Predonine

>  <Target> (1,115)
Glucocorticoid Receptor

>  <Form> (1,115)
Free Base

>  <URL> (1,115)
http://www.selleckchem.com/products/Prednisolone(Hydroretrocortine).html

>  <CAS Number> (1,115)
50-24-8

$$$$
Rifabutin.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,116)
2065

>  <Formula> (1,116)
C46H62N4O11

>  <MolWeight> (1,116)
847.00468

>  <Item Name> (1,116)
Rifabutin

>  <Catalog Number> (1,116)
S1741

>  <Synonyms> (1,116)
Mycobutin, Ansamycin, LM 427, Ansatipine

>  <Target> (1,116)
Antifection

>  <Form> (1,116)
Free Base

>  <URL> (1,116)
http://www.selleckchem.com/products/Rifabutin(Mycobutin).html

>  <CAS Number> (1,116)
72559-06-9

$$$$
Rifampin.cdx
csChFnd80/07171813022D

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M  CFW  18 B_NG_STER 2
M  END
>  <Mol_ID> (1,117)
2066

>  <Formula> (1,117)
C43H58N4O12

>  <MolWeight> (1,117)
822.94022

>  <Item Name> (1,117)
Rifampin

>  <Catalog Number> (1,117)
S1764

>  <Synonyms> (1,117)
Rifampicin

>  <Target> (1,117)
DNA/RNA Synthesis

>  <Form> (1,117)
Free Base

>  <URL> (1,117)
http://www.selleckchem.com/products/Rifampin(Rifadin).html

>  <CAS Number> (1,117)
13292-46-1

$$$$
Rifapentine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,118)
2067

>  <Formula> (1,118)
C47H64N4O12

>  <MolWeight> (1,118)
877.03066

>  <Item Name> (1,118)
Rifapentine

>  <Catalog Number> (1,118)
S1760

>  <Synonyms> (1,118)
Cyclopentylrifampicin

>  <Target> (1,118)
DNA/RNA Synthesis

>  <Form> (1,118)
Free Base

>  <URL> (1,118)
http://www.selleckchem.com/products/Rifapentine(Priftin).html

>  <CAS Number> (1,118)
61379-65-5

$$$$
spironolactone.cdx
csChFnd80/07171813022D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,119)
2068

>  <Formula> (1,119)
C24H32O4S

>  <MolWeight> (1,119)
416.57348

>  <Item Name> (1,119)
spironolactone

>  <Catalog Number> (1,119)
S4054

>  <Synonyms> (1,119)
N/A

>  <Target> (1,119)
Androgen Receptor

>  <Form> (1,119)
Free Base

>  <URL> (1,119)
http://www.selleckchem.com/products/spironolactone.html

>  <CAS Number> (1,119)
52-01-7

$$$$
Terbinafine.cdx
csChFnd80/07171813022D

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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,120)
2070

>  <Formula> (1,120)
C21H25N

>  <MolWeight> (1,120)
291.4299

>  <Item Name> (1,120)
Terbinafine

>  <Catalog Number> (1,120)
S1725

>  <Synonyms> (1,120)
Lamisil, Terbinex, Corbinal, Zabel

>  <Target> (1,120)
Antifection

>  <Form> (1,120)
Free Base

>  <URL> (1,120)
http://www.selleckchem.com/products/Terbinafine(Lamisil).html

>  <CAS Number> (1,120)
91161-71-6

$$$$
Alizapride hydrochloride.cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
    9.5485    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  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
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 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
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 17 19  1  0  0  0  0
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 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,121)
2071

>  <Formula> (1,121)
C16H22ClN5O2

>  <MolWeight> (1,121)
351.83118

>  <Item Name> (1,121)
Alizapride hydrochloride

>  <Catalog Number> (1,121)
S4257 

>  <Synonyms> (1,121)
N/A

>  <Target> (1,121)
Dopamine Receptor

>  <Form> (1,121)
hydrochloride

>  <URL> (1,121)
http://www.selleckchem.com/products/alizapride-hcl.html

>  <CAS Number> (1,121)
59338-87-3

$$$$
Brimonidine Tartrate.cdx
csChFnd80/07171813022D

 27 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  5  2  0  0  0  0
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  3  4  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
>  <Mol_ID> (1,122)
2072

>  <Formula> (1,122)
C15H16BrN5O6

>  <MolWeight> (1,122)
442.22144

>  <Item Name> (1,122)
Brimonidine Tartrate

>  <Catalog Number> (1,122)
S4266

>  <Synonyms> (1,122)
N/A

>  <Target> (1,122)
Adrenergic Receptor

>  <Form> (1,122)
Tartrate

>  <URL> (1,122)
http://www.selleckchem.com/products/brimonidine-tartrate.html

>  <CAS Number> (1,122)
70359-46-5

$$$$
Buspirone hydrochloride.cdx
csChFnd80/07171813022D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,123)
2073

>  <Formula> (1,123)
C21H32ClN5O2

>  <MolWeight> (1,123)
421.96408

>  <Item Name> (1,123)
Buspirone hydrochloride

>  <Catalog Number> (1,123)
S4256 

>  <Synonyms> (1,123)
N/A

>  <Target> (1,123)
5-HT Receptor

>  <Form> (1,123)
Hydrochloride

>  <URL> (1,123)
http://www.selleckchem.com/products/buspirone-hcl.html

>  <CAS Number> (1,123)
33386-08-2

$$$$
Diacerein.cdx
csChFnd80/07171813022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,124)
2074

>  <Formula> (1,124)
C19H12O8

>  <MolWeight> (1,124)
368.29378

>  <Item Name> (1,124)
Diacerein

>  <Catalog Number> (1,124)
S4267 

>  <Synonyms> (1,124)
N/A

>  <Target> (1,124)
IL Receptor

>  <Form> (1,124)
Free Base

>  <URL> (1,124)
http://www.selleckchem.com/products/diacerein.html

>  <CAS Number> (1,124)
13739-02-1

$$$$
RAPAFLO (silodosin).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,125)
2075

>  <Formula> (1,125)
C25H32F3N3O4

>  <MolWeight> (1,125)
495.5344896

>  <Item Name> (1,125)
Silodosin

>  <Catalog Number> (1,125)
S1613

>  <Synonyms> (1,125)
N/A

>  <Target> (1,125)
Adrenergic Recepto

>  <Form> (1,125)
Free Base

>  <URL> (1,125)
http://www.selleckchem.com/products/Silodosin(Rapaflo).html

>  <CAS Number> (1,125)
160970-54-7

$$$$
Sofosbuvir(PSI-7977).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,126)
2076

>  <Formula> (1,126)
C22H29FN3O9P

>  <MolWeight> (1,126)
529.4525242

>  <Item Name> (1,126)
Sofosbuvir(PSI-7977)

>  <Catalog Number> (1,126)
S2794

>  <Synonyms> (1,126)
N/A

>  <Target> (1,126)
DNA/RNA Synthesis

>  <Form> (1,126)
Free Base

>  <URL> (1,126)
http://www.selleckchem.com/products/psi-7977-gs-7977.html

>  <CAS Number> (1,126)
1190307-88-0

$$$$
Ebastine.cdx
csChFnd80/07171813022D

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Ebastine

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S4262 

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

>  <CAS Number> (1,127)
90729-43-4

$$$$
Etofibrate.cdx
csChFnd80/07171813022D

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C18H18ClNO5

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Etofibrate

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S4264 

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N/A

>  <Target> (1,128)
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Free Base

>  <URL> (1,128)
http://www.selleckchem.com/products/etofibrate.html

>  <CAS Number> (1,128)
31637-97-5

$$$$
Flufenamic acid.cdx
csChFnd80/07171813022D

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C14H10F3NO2

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Flufenamic acid

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S4268 

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N/A

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COX

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Free Base

>  <URL> (1,129)
http://www.selleckchem.com/products/flufenamic-acid.html

>  <CAS Number> (1,129)
530-78-9

$$$$
Luliconazole.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,130)
2081

>  <Formula> (1,130)
C14H9Cl2N3S2

>  <MolWeight> (1,130)
354.27736

>  <Item Name> (1,130)
Luliconazole

>  <Catalog Number> (1,130)
S4258 

>  <Synonyms> (1,130)
N/A

>  <Target> (1,130)
Antifection

>  <Form> (1,130)
Free Base

>  <URL> (1,130)
http://www.selleckchem.com/products/luliconazole.html

>  <CAS Number> (1,130)
187164-19-8

$$$$
Tamibarotene.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,131)
2083

>  <Formula> (1,131)
C22H25NO3

>  <MolWeight> (1,131)
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>  <Item Name> (1,131)
Tamibarotene

>  <Catalog Number> (1,131)
S4260 

>  <Synonyms> (1,131)
N/A

>  <Target> (1,131)
Retinoid Receptor

>  <Form> (1,131)
Free Base

>  <URL> (1,131)
http://www.selleckchem.com/products/tamibarotene.html

>  <CAS Number> (1,131)
94497-51-5

$$$$
Vilazodone Hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,132)
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>  <Formula> (1,132)
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Vilazodone Hydrochloride

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S4259 

>  <Synonyms> (1,132)
N/A

>  <Target> (1,132)
Others

>  <Form> (1,132)
Hydrochloride

>  <URL> (1,132)
http://www.selleckchem.com/products/vilazodone-hcl.html

>  <CAS Number> (1,132)
163521-08-2

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,133)
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>  <Formula> (1,133)
C34H44N4O4

>  <MolWeight> (1,133)
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>  <Item Name> (1,133)
Tazemetostat (EPZ-6438)

>  <Catalog Number> (1,133)
S7128

>  <Synonyms> (1,133)
E7438

>  <Target> (1,133)
Histone Methyltransferase

>  <Form> (1,133)
Free Base

>  <URL> (1,133)
http://www.selleckchem.com/products/epz-6438.html

>  <CAS Number> (1,133)
1403254-99-8

$$$$
TELAPREVIR (VX-950).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,134)
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>  <Formula> (1,134)
C36H53N7O6

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Telaprevir (VX-950)

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>  <Synonyms> (1,134)
LY-570310, MP-424

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HCV Protease

>  <Form> (1,134)
Free Base

>  <URL> (1,134)
http://www.selleckchem.com/products/Telaprevir(VX-950).html

>  <CAS Number> (1,134)
402957-28-2

$$$$
Tasisulam (LY573636).cdx
csChFnd80/07171813022D

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2102

>  <Formula> (1,135)
C11H6BrCl2NO3S2

>  <MolWeight> (1,135)
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Tasisulam (LY573636)

>  <Catalog Number> (1,135)
S7326 

>  <Synonyms> (1,135)
LY573636

>  <Target> (1,135)
Caspase

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Free Base

>  <URL> (1,135)
http://www.selleckchem.com/products/tasisulam.html

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519055-62-0

$$$$
Pacritinib (SB1518).cdx
csChFnd80/07171813022D

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500287-72-9

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   16.5542    2.2918    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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  8  9  1  0  0  0  0
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 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
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M  END
>  <Mol_ID> (1,140)
2149

>  <Formula> (1,140)
C23H30N8O

>  <MolWeight> (1,140)
434.5373

>  <Item Name> (1,140)
Ribociclib (LEE011)

>  <Catalog Number> (1,140)
S7440 

>  <Synonyms> (1,140)
N/A

>  <Target> (1,140)
CDK

>  <Form> (1,140)
Free Base

>  <URL> (1,140)
http://www.selleckchem.com/products/lee011.html

>  <CAS Number> (1,140)
1211441-98-3

$$$$
E-64d(Aloxistatin,Loxistatin£©.cdx
csChFnd80/07171813022D

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    6.2540    2.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   11.1037    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
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 10  6  1  0  0  0  0
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 10 12  1  1  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,141)
2153

>  <Formula> (1,141)
C17H30N2O5

>  <MolWeight> (1,141)
342.4305

>  <Item Name> (1,141)
E-64d(Aloxistatin,Loxistatin£©

>  <Catalog Number> (1,141)
S7393 

>  <Synonyms> (1,141)
E-64d

>  <Target> (1,141)
Cysteine Protease

>  <Form> (1,141)
Free Base

>  <URL> (1,141)
http://www.selleckchem.com/products/Aloxistatin.html

>  <CAS Number> (1,141)
88321-09-9

$$$$
LX1606.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,142)
2178

>  <Formula> (1,142)
C36H35ClF3N7O6

>  <MolWeight> (1,142)
754.1546096

>  <Item Name> (1,142)
LX1606 hippurate

>  <Catalog Number> (1,142)
S2173

>  <Synonyms> (1,142)
Telotristat Etiprate

>  <Target> (1,142)
Hydroxylase

>  <Form> (1,142)
Hippuric acid

>  <URL> (1,142)
http://www.selleckchem.com/products/telotristat-etiprate-lx-1606-hippurate.html

>  <CAS Number> (1,142)
11137608-69-5

$$$$
GS-9973.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,143)
2182

>  <Formula> (1,143)
C23H21N7O

>  <MolWeight> (1,143)
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>  <Item Name> (1,143)
Entospletinib (GS-9973)

>  <Catalog Number> (1,143)
S7523

>  <Synonyms> (1,143)
N/A

>  <Target> (1,143)
Syk

>  <Form> (1,143)
Free Base

>  <URL> (1,143)
http://www.selleckchem.com/products/gs-9973.html

>  <CAS Number> (1,143)
1229208-44-9

$$$$
Vinorelbine tartrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,144)
2189

>  <Formula> (1,144)
C53H66N4O20

>  <MolWeight> (1,144)
1079.10594

>  <Item Name> (1,144)
Vinorelbine Tartrate

>  <Catalog Number> (1,144)
S4269

>  <Synonyms> (1,144)
N/A

>  <Target> (1,144)
Microtubule Associated

>  <Form> (1,144)
Tartrate

>  <URL> (1,144)
http://www.selleckchem.com/products/vinorelbine-tartrate.html

>  <CAS Number> (1,144)
125317-39-7

$$$$
Trelagliptin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,145)
2193

>  <Formula> (1,145)
C18H20FN5O2

>  <MolWeight> (1,145)
357.3821032

>  <Item Name> (1,145)
Trelagliptin

>  <Catalog Number> (1,145)
S7513

>  <Synonyms> (1,145)
SYR-472

>  <Target> (1,145)
DPP-4

>  <Form> (1,145)
Free Base

>  <URL> (1,145)
http://www.selleckchem.com/products/trelagliptin.html

>  <CAS Number> (1,145)
865759-25-7

$$$$
LM-3093 AZD9291.cdx
csChFnd80/07171813022D

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Leurocristine

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Microtubule Associ

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Free Base

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http://www.selleckchem.com/products/Vincristine-Sulfate.html

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2068-78-2

$$$$
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csChFnd80/07171813022D

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>  <Formula> (1,151)
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>  <Item Name> (1,151)
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>  <Target> (1,151)
c-Met

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Free Base

>  <URL> (1,151)
http://www.selleckchem.com/products/emd-1214063.html

>  <CAS Number> (1,151)
1100598-32-0

$$$$
Puromycin dihydrochloride.cdx
csChFnd80/07171813022D

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2256

>  <Formula> (1,152)
C22H31Cl2N7O5

>  <MolWeight> (1,152)
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>  <Item Name> (1,152)
Puromycin 2HCl

>  <Catalog Number> (1,152)
S7417

>  <Synonyms> (1,152)
N/A

>  <Target> (1,152)
Antifection

>  <Form> (1,152)
Dihydrochloride

>  <URL> (1,152)
http://www.selleckchem.com/products/Puromycin-2HCl.html

>  <CAS Number> (1,152)
58-58-2

$$$$
Meclofenoxate HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,153)
2264

>  <Formula> (1,153)
C12H17Cl2NO3

>  <MolWeight> (1,153)
294.17428

>  <Item Name> (1,153)
Meclofenoxate (Centrophenoxine) HCl

>  <Catalog Number> (1,153)
S4280

>  <Synonyms> (1,153)
N/A

>  <Target> (1,153)
Transferase

>  <Form> (1,153)
Hydrochloride

>  <URL> (1,153)
http://www.selleckchem.com/products/meclofenoxate-centrophenoxine-hci.html

>  <CAS Number> (1,153)
3685-84-5

$$$$
Ospemifene.cdx
csChFnd80/07171813022D

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 26 16  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,154)
2267

>  <Formula> (1,154)
C24H23ClO2

>  <MolWeight> (1,154)
378.89122

>  <Item Name> (1,154)
Ospemifene

>  <Catalog Number> (1,154)
S4285

>  <Synonyms> (1,154)
N/A

>  <Target> (1,154)
Estrogen/progestogen Receptor

>  <Form> (1,154)
Free Base

>  <URL> (1,154)
http://www.selleckchem.com/products/ospemifene.html

>  <CAS Number> (1,154)
128607-22-7

$$$$
Nelfinavir mesylate .cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,155)
2270

>  <Formula> (1,155)
C33H49N3O7S2

>  <MolWeight> (1,155)
663.88806

>  <Item Name> (1,155)
Nelfinavir Mesylate

>  <Catalog Number> (1,155)
S4282

>  <Synonyms> (1,155)
N/A

>  <Target> (1,155)
HIV Protease

>  <Form> (1,155)
Mesylate

>  <URL> (1,155)
http://www.selleckchem.com/products/nelfinavir-mesylate.html

>  <CAS Number> (1,155)
159989-65-8

$$$$
Chloroprocaine hydrochloride.cdx
csChFnd80/07171813022D

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   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,156)
2272

>  <Formula> (1,156)
C13H20Cl2N2O2

>  <MolWeight> (1,156)
307.2161

>  <Item Name> (1,156)
Chloroprocaine HCl

>  <Catalog Number> (1,156)
S4284

>  <Synonyms> (1,156)
N/A

>  <Target> (1,156)
Sodium Channel

>  <Form> (1,156)
Hydrochloride

>  <URL> (1,156)
http://www.selleckchem.com/products/chloroprocaine-hci.html

>  <CAS Number> (1,156)
3858-89-7

$$$$
Carteolol hydrochloride.cdx
csChFnd80/07171813022D

 22 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,157)
2273

>  <Formula> (1,157)
C16H25ClN2O3

>  <MolWeight> (1,157)
328.8343

>  <Item Name> (1,157)
Carteolol HCl

>  <Catalog Number> (1,157)
S4278

>  <Synonyms> (1,157)
N/A

>  <Target> (1,157)
Adrenergic Receptor

>  <Form> (1,157)
Hydrochloride

>  <URL> (1,157)
http://www.selleckchem.com/products/carteolol-hci.html

>  <CAS Number> (1,157)
51781-21-6

$$$$
Demeclocycline hydrochloride.cdx
csChFnd80/07171813022D

 35 37  0  0  0  0  0  0  0  0999 V2000
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   15.5253    3.1294    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 32 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,158)
2274

>  <Formula> (1,158)
C21H22Cl2N2O8

>  <MolWeight> (1,158)
501.31398

>  <Item Name> (1,158)
Demeclocycline HCl

>  <Catalog Number> (1,158)
S4279

>  <Synonyms> (1,158)
N/A

>  <Target> (1,158)
Antifection

>  <Form> (1,158)
Hydrochloride

>  <URL> (1,158)
http://www.selleckchem.com/products/demeclocycline-hci.html

>  <CAS Number> (1,158)
64-73-3

$$$$
Cyclobenzaprine HCl.cdx
csChFnd80/07171813022D

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M  CFW  17 B_NG_STER 2
M  END
>  <Mol_ID> (1,159)
2275

>  <Formula> (1,159)
C20H22ClN

>  <MolWeight> (1,159)
311.84838

>  <Item Name> (1,159)
Cyclobenzaprine HCl

>  <Catalog Number> (1,159)
S4283

>  <Synonyms> (1,159)
N/A

>  <Target> (1,159)
5-HT Receptor

>  <Form> (1,159)
Hydrochloride

>  <URL> (1,159)
http://www.selleckchem.com/products/cyclobenzaprine-hci.html

>  <CAS Number> (1,159)
6202-23-9

$$$$
Anidulafungin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,160)
2278

>  <Formula> (1,160)
C58H73N7O17

>  <MolWeight> (1,160)
1140.23692

>  <Item Name> (1,160)
Anidulafungin (LY303366)

>  <Catalog Number> (1,160)
S4286

>  <Synonyms> (1,160)
N/A

>  <Target> (1,160)
Antifection

>  <Form> (1,160)
Free Base

>  <URL> (1,160)
http://www.selleckchem.com/products/anidulafungin-ly303366.html

>  <CAS Number> (1,160)
166663-25-8

$$$$
Chloroambucil.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,161)
2279

>  <Formula> (1,161)
C14H19Cl2NO2

>  <MolWeight> (1,161)
304.21216

>  <Item Name> (1,161)
Chloroambucil

>  <Catalog Number> (1,161)
S4288

>  <Synonyms> (1,161)
Chlorambucil

>  <Target> (1,161)
DNA/RNA Synthesis

>  <Form> (1,161)
Free Base

>  <URL> (1,161)
http://www.selleckchem.com/products/chloroambucil.html

>  <CAS Number> (1,161)
305-03-3

$$$$
Promethazine hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,162)
2283

>  <Formula> (1,162)
C17H21ClN2S

>  <MolWeight> (1,162)
320.88004

>  <Item Name> (1,162)
Promethazine HCl

>  <Catalog Number> (1,162)
S4293

>  <Synonyms> (1,162)
N/A

>  <Target> (1,162)
Histamine Receptor

>  <Form> (1,162)
Hydrochloride

>  <URL> (1,162)
http://www.selleckchem.com/products/promethazine-hcl.html

>  <CAS Number> (1,162)
58-33-3

$$$$
MetoclopraMide HCl.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,163)
2285

>  <Formula> (1,163)
C14H23Cl2N3O2

>  <MolWeight> (1,163)
336.25732

>  <Item Name> (1,163)
MetoclopraMide HCl

>  <Catalog Number> (1,163)
S4289

>  <Synonyms> (1,163)
N/A

>  <Target> (1,163)
Dopamine Receptor

>  <Form> (1,163)
Hydrochloride

>  <URL> (1,163)
http://www.selleckchem.com/products/metoclopramide-hcl.html

>  <CAS Number> (1,163)
7232-21-5

$$$$
Micafungin sodium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,164)
2286

>  <Formula> (1,164)
C56H70N9NaO23S

>  <MolWeight> (1,164)
1292.25627

>  <Item Name> (1,164)
Micafungin Sodium

>  <Catalog Number> (1,164)
S4287

>  <Synonyms> (1,164)
FK463 Sodium

>  <Target> (1,164)
Antifection

>  <Form> (1,164)
Sodium Salt

>  <URL> (1,164)
http://www.selleckchem.com/products/micafungin-sodium.html

>  <CAS Number> (1,164)
208538-73-2

$$$$
Rotigotine.cdx
csChFnd80/07171813022D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,165)
2288

>  <Formula> (1,165)
C19H25NOS

>  <MolWeight> (1,165)
315.4729

>  <Item Name> (1,165)
Rotigotine

>  <Catalog Number> (1,165)
S4274

>  <Synonyms> (1,165)
N/A

>  <Target> (1,165)
Dopamine Receptor

>  <Form> (1,165)
Free Base

>  <URL> (1,165)
http://www.selleckchem.com/products/rotigotine.html

>  <CAS Number> (1,165)
99755-59-6

$$$$
Diphenidol hydrochloride.cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,166)
2293

>  <Formula> (1,166)
C21H28ClNO

>  <MolWeight> (1,166)
345.90612

>  <Item Name> (1,166)
Diphenidol HCl

>  <Catalog Number> (1,166)
S4292

>  <Synonyms> (1,166)
N/A

>  <Target> (1,166)
AChR

>  <Form> (1,166)
Hydrochloride

>  <URL> (1,166)
http://www.selleckchem.com/products/diphenidol-hcl.html

>  <CAS Number> (1,166)
3254-89-5

$$$$
Digoxin .cdx
csChFnd80/07171813022D

 61 68  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,167)
2295

>  <Formula> (1,167)
C41H64O14

>  <MolWeight> (1,167)
780.93846

>  <Item Name> (1,167)
Digoxin

>  <Catalog Number> (1,167)
S4290

>  <Synonyms> (1,167)
N/A

>  <Target> (1,167)
Sodium Channel

>  <Form> (1,167)
Free Base

>  <URL> (1,167)
http://www.selleckchem.com/products/digoxin.html

>  <CAS Number> (1,167)
20830-75-5

$$$$
Dicoumarol.cdx
csChFnd80/07171813022D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,168)
2296

>  <Formula> (1,168)
C19H12O6

>  <MolWeight> (1,168)
336.29498

>  <Item Name> (1,168)
Dicoumarol

>  <Catalog Number> (1,168)
S4299

>  <Synonyms> (1,168)
Dicumarol

>  <Target> (1,168)
Others

>  <Form> (1,168)
Free Base

>  <URL> (1,168)
http://www.selleckchem.com/products/dicoumarol.html

>  <CAS Number> (1,168)
66-76-2

$$$$
Procainamide hydrochloride.cdx
csChFnd80/07171813022D

 18 17  0  0  0  0  0  0  0  0999 V2000
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   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,169)
2299

>  <Formula> (1,169)
C13H22ClN3O

>  <MolWeight> (1,169)
271.78628

>  <Item Name> (1,169)
Procainamide HCl

>  <Catalog Number> (1,169)
S4294

>  <Synonyms> (1,169)
N/A

>  <Target> (1,169)
Sodium Channel

>  <Form> (1,169)
Hydrochloride

>  <URL> (1,169)
http://www.selleckchem.com/products/procainamide-hcl.html

>  <CAS Number> (1,169)
614-39-1

$$$$
Labetalol hydrochloride.cdx
csChFnd80/07171813022D

 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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 23 24  2  0  0  0  0
 24 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,170)
2300

>  <Formula> (1,170)
C19H25ClN2O3

>  <MolWeight> (1,170)
364.8664

>  <Item Name> (1,170)
Labetalol HCl

>  <Catalog Number> (1,170)
S4291

>  <Synonyms> (1,170)
N/A

>  <Target> (1,170)
Adrenergic Receptor

>  <Form> (1,170)
Hydrochloride

>  <URL> (1,170)
http://www.selleckchem.com/products/labetalol-hcl.html

>  <CAS Number> (1,170)
32780-64-6

$$$$
Amifostine .cdx
csChFnd80/07171813022D

 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
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   19.0972    2.6835    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7599    1.3247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7222   11.6794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,171)
2303

>  <Formula> (1,171)
C5H21N2O6PS

>  <MolWeight> (1,171)
268.268801

>  <Item Name> (1,171)
Amifostine

>  <Catalog Number> (1,171)
S4298

>  <Synonyms> (1,171)
N/A

>  <Target> (1,171)
Others

>  <Form> (1,171)
Trihydrate

>  <URL> (1,171)
http://www.selleckchem.com/products/amifostine.html

>  <CAS Number> (1,171)
112901-68-5

$$$$
Meclofenamate sodium.cdx
csChFnd80/07171813022D

 20 21  0  0  0  0  0  0  0  0999 V2000
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  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> (1,172)
2304

>  <Formula> (1,172)
C14H10Cl2NNaO2

>  <MolWeight> (1,172)
318.13047

>  <Item Name> (1,172)
Meclofenamate sodium

>  <Catalog Number> (1,172)
S4295

>  <Synonyms> (1,172)
N/A

>  <Target> (1,172)
COX

>  <Form> (1,172)
Sodium Salt

>  <URL> (1,172)
http://www.selleckchem.com/products/meclofenamate-sodium.html

>  <CAS Number> (1,172)
6385-02-0

$$$$
Mefloquine hydrochloride.cdx
csChFnd80/07171813022D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,173)
2305

>  <Formula> (1,173)
C17H17ClF6N2O

>  <MolWeight> (1,173)
414.7730992

>  <Item Name> (1,173)
Mefloquine HCl

>  <Catalog Number> (1,173)
S4420

>  <Synonyms> (1,173)
N/A

>  <Target> (1,173)
Antifection

>  <Form> (1,173)
Hydrochloride

>  <URL> (1,173)
http://www.selleckchem.com/products/mefloquine-hcl.html

>  <CAS Number> (1,173)
51773-92-3

$$$$
Aliskiren hemifumarate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,174)
2308

>  <Formula> (1,174)
C64H110N6O16

>  <MolWeight> (1,174)
1219.5888

>  <Item Name> (1,174)
Aliskiren Hemifumarate

>  <Catalog Number> (1,174)
S2199

>  <Synonyms> (1,174)
N/A

>  <Target> (1,174)
RAAS

>  <Form> (1,174)
fumarate salt

>  <URL> (1,174)
http://www.selleckchem.com/products/Aliskiren-hemifumarate.html

>  <CAS Number> (1,174)
173334-58-2

$$$$
Bepotastine besilate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,175)
2309

>  <Formula> (1,175)
C27H31ClN2O6S

>  <MolWeight> (1,175)
547.06284

>  <Item Name> (1,175)
Bepotastine Besilate

>  <Catalog Number> (1,175)
S3037

>  <Synonyms> (1,175)
N/A

>  <Target> (1,175)
Histamine Receptor

>  <Form> (1,175)
Besilate salt

>  <URL> (1,175)
http://www.selleckchem.com/products/bepotastine-besilate.html

>  <CAS Number> (1,175)
190786-44-8

$$$$
Biapenem.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,176)
2310

>  <Formula> (1,176)
C15H18N4O4S

>  <MolWeight> (1,176)
350.39282

>  <Item Name> (1,176)
Biapenem

>  <Catalog Number> (1,176)
S1370

>  <Synonyms> (1,176)
L-627, LJC10627

>  <Target> (1,176)
Antifection

>  <Form> (1,176)
Free Base

>  <URL> (1,176)
http://www.selleckchem.com/products/Biapenem.html

>  <CAS Number> (1,176)
120410-24-4

$$$$
BIBW2992 (Afatinib).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,177)
2311

>  <Formula> (1,177)
C24H25ClFN5O3

>  <MolWeight> (1,177)
485.9384032

>  <Item Name> (1,177)
Afatinib (BIBW2992)

>  <Catalog Number> (1,177)
S1011

>  <Synonyms> (1,177)
N/A

>  <Target> (1,177)
EGFR

>  <Form> (1,177)
Free Base

>  <URL> (1,177)
http://www.selleckchem.com/products/BIBW2992.html

>  <CAS Number> (1,177)
439081-18-2

$$$$
Caspofungin acetate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,178)
2312

>  <Formula> (1,178)
C56H96N10O19

>  <MolWeight> (1,178)
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>  <Item Name> (1,178)
Caspofungin Acetate

>  <Catalog Number> (1,178)
S3073

>  <Synonyms> (1,178)
N/A

>  <Target> (1,178)
Antifection

>  <Form> (1,178)
diacetate

>  <URL> (1,178)
http://www.selleckchem.com/products/caspofungin-acetate.html

>  <CAS Number> (1,178)
179463-17-3

$$$$
Daptomycin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,179)
2313

>  <Formula> (1,179)
C72H101N17O26

>  <MolWeight> (1,179)
1620.67064

>  <Item Name> (1,179)
Daptomycin

>  <Catalog Number> (1,179)
S1373

>  <Synonyms> (1,179)
LY146032

>  <Target> (1,179)
Others

>  <Form> (1,179)
Free Base

>  <URL> (1,179)
http://www.selleckchem.com/products/Daptomycin.html

>  <CAS Number> (1,179)
103060-53-3

$$$$
Doripenem Hydrate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,180)
2314

>  <Formula> (1,180)
C15H26N4O7S2

>  <MolWeight> (1,180)
438.51954

>  <Item Name> (1,180)
Doripenem Hydrate

>  <Catalog Number> (1,180)
S1374

>  <Synonyms> (1,180)
S-4661

>  <Target> (1,180)
Antifection

>  <Form> (1,180)
Hydrate

>  <URL> (1,180)
http://www.selleckchem.com/products/Doripenem-Hydrate.html

>  <CAS Number> (1,180)
364622-82-2

$$$$
Fesoterodine fumarate.cdx
csChFnd80/07171813022D

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 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
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 35 38  2  0  0  0  0
M  END
>  <Mol_ID> (1,181)
2315

>  <Formula> (1,181)
C30H41NO7

>  <MolWeight> (1,181)
527.64904

>  <Item Name> (1,181)
Fesoterodine Fumarate

>  <Catalog Number> (1,181)
S2240

>  <Synonyms> (1,181)
N/A

>  <Target> (1,181)
AChR

>  <Form> (1,181)
Fumarate

>  <URL> (1,181)
http://www.selleckchem.com/products/Fesoterodine-fumarate-Toviaz.html

>  <CAS Number> (1,181)
286930-03-8

$$$$
Fosaprepitant dimeglumine.cdx
csChFnd80/07171813022D

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 58 67  1  6  0  0  0
M  END
>  <Mol_ID> (1,182)
2316

>  <Formula> (1,182)
C37H56F7N6O16P

>  <MolWeight> (1,182)
1004.8337234

>  <Item Name> (1,182)
Fosaprepitant dimeglumine salt

>  <Catalog Number> (1,182)
S3038

>  <Synonyms> (1,182)
MK-0517

>  <Target> (1,182)
Others

>  <Form> (1,182)
dimeglumine salt

>  <URL> (1,182)
http://www.selleckchem.com/products/fosaprepitant.html

>  <CAS Number> (1,182)
265121-04-8

$$$$
INVEGA (paliperidone).cdx
csChFnd80/07171813022D

 31 35  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,183)
2317

>  <Formula> (1,183)
C23H27FN4O3

>  <MolWeight> (1,183)
426.4838832

>  <Item Name> (1,183)
Paliperidone

>  <Catalog Number> (1,183)
S1724

>  <Synonyms> (1,183)
N/A

>  <Target> (1,183)
Dopamine Receptor

>  <Form> (1,183)
Free Base

>  <URL> (1,183)
http://www.selleckchem.com/products/Paliperidone(Invega).html

>  <CAS Number> (1,183)
144598-75-4

$$$$
Nebivolol HCl (R-067555).cdx
csChFnd80/07171813022D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,184)
2319

>  <Formula> (1,184)
C22H26ClF2NO4

>  <MolWeight> (1,184)
441.8959464

>  <Item Name> (1,184)
Nebivolol HCl

>  <Catalog Number> (1,184)
S1549

>  <Synonyms> (1,184)
N/A

>  <Target> (1,184)
Adrenergic Receptor

>  <Form> (1,184)
Hydrochloride

>  <URL> (1,184)
http://www.selleckchem.com/products/Nebivolol(Bystolic).html

>  <CAS Number> (1,184)
152520-56-4

$$$$
Ouabain Octahydrate.cdx
csChFnd80/07171813022D

 51 48  0  0  0  0  0  0  0  0999 V2000
    9.0948    4.5316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10 14  1  0  0  0  0
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M  END
>  <Mol_ID> (1,185)
2320

>  <Formula> (1,185)
C29H60O20

>  <MolWeight> (1,185)
728.7747

>  <Item Name> (1,185)
Ouabain

>  <Catalog Number> (1,185)
S4016

>  <Synonyms> (1,185)
N/A

>  <Target> (1,185)
Sodium Channel

>  <Form> (1,185)
Free Base

>  <URL> (1,185)
http://www.selleckchem.com/products/ouabain.html

>  <CAS Number> (1,185)
630-60-4

$$$$
PROGRAF (tacrolimus).cdx
csChFnd80/07171813022D

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,186)
2321

>  <Formula> (1,186)
C44H69NO12

>  <MolWeight> (1,186)
804.01816

>  <Item Name> (1,186)
Tacrolimus (FK506)

>  <Catalog Number> (1,186)
S5003

>  <Synonyms> (1,186)
FR900506

>  <Target> (1,186)
mTOR

>  <Form> (1,186)
Free Base

>  <URL> (1,186)
http://www.selleckchem.com/products/FK-506-(Tacrolimus).html

>  <CAS Number> (1,186)
104987-11-3

$$$$
Rosuvastatin calcium.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,187)
2322

>  <Formula> (1,187)
C44H54CaF2N6O12S2

>  <MolWeight> (1,187)
1001.1373664

>  <Item Name> (1,187)
Rosuvastatin Calcium

>  <Catalog Number> (1,187)
S2169

>  <Synonyms> (1,187)
ZD4522

>  <Target> (1,187)
HMG-CoA Reductase

>  <Form> (1,187)
Calcium salt

>  <URL> (1,187)
http://www.selleckchem.com/products/Rosuvastatin-calcium(Crestor).html

>  <CAS Number> (1,187)
147098-20-2

$$$$
R-Ruxolitinib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,188)
2323

>  <Formula> (1,188)
C17H18N6

>  <MolWeight> (1,188)
306.36502

>  <Item Name> (1,188)
Ruxolitinib (INCB018424)

>  <Catalog Number> (1,188)
S1378

>  <Synonyms> (1,188)
N/A

>  <Target> (1,188)
JAK

>  <Form> (1,188)
Free Base

>  <URL> (1,188)
http://www.selleckchem.com/products/INCB18424.html

>  <CAS Number> (1,188)
941678-49-5

$$$$
Teicoplanin.cdx
csChFnd80/07171813022D

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A  185
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M  END
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Teichomycin

>  <Target> (1,189)
Antifection

>  <Form> (1,189)
Free Base

>  <URL> (1,189)
http://www.selleckchem.com/products/Teicoplanin.html

>  <CAS Number> (1,189)
61036-62-2

$$$$
Temsirolimus.cdx
csChFnd80/07171813022D

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>  <Item Name> (1,190)
Temsirolimus (CCI-779, NSC 683864)

>  <Catalog Number> (1,190)
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>  <Synonyms> (1,190)
N/A

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mTOR

>  <Form> (1,190)
Free Base

>  <URL> (1,190)
http://www.selleckchem.com/products/Temsirolimus.html

>  <CAS Number> (1,190)
162635-04-3

$$$$
Lomitapide.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,191)
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C39H37F6N3O2

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S7635

>  <Synonyms> (1,191)
N/A

>  <Target> (1,191)
Others

>  <Form> (1,191)
Free Base

>  <URL> (1,191)
http://www.selleckchem.com/products/lomitapide.html

>  <CAS Number> (1,191)
182431-12-5

$$$$
filgotinib.cdx
csChFnd80/07171813022D

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2335

>  <Formula> (1,192)
C21H23N5O3S

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425.50402

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Filgotinib£¨GLPG0643)

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S7605

>  <Synonyms> (1,192)
N/A

>  <Target> (1,192)
JAK

>  <Form> (1,192)
Free Base

>  <URL> (1,192)
http://www.selleckchem.com/products/filgotinib.html

>  <CAS Number> (1,192)
1206161-97-8

$$$$
Mupirocin .cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,193)
2336

>  <Formula> (1,193)
C26H44O9

>  <MolWeight> (1,193)
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>  <Item Name> (1,193)
Mupirocin

>  <Catalog Number> (1,193)
S4297

>  <Synonyms> (1,193)
N/A

>  <Target> (1,193)
DNA/RNA Synthesis

>  <Form> (1,193)
Free Base

>  <URL> (1,193)
http://www.selleckchem.com/products/mupirocin.html

>  <CAS Number> (1,193)
12650-69-0

$$$$
Erythromycin cyclocarbonate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,194)
2340

>  <Formula> (1,194)
C38H65NO14

>  <MolWeight> (1,194)
759.921

>  <Item Name> (1,194)
Erythromycin Cyclocarbonate

>  <Catalog Number> (1,194)
S7550

>  <Synonyms> (1,194)
N/A

>  <Target> (1,194)
Antifection

>  <Form> (1,194)
Free Base

>  <URL> (1,194)
http://www.selleckchem.com/products/erythromycin-cyclocarbonate.html

>  <CAS Number> (1,194)
55224-05-0

$$$$
Salmeterol xinafoate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,195)
2348

>  <Formula> (1,195)
C36H45NO7

>  <MolWeight> (1,195)
603.745

>  <Item Name> (1,195)
Salmeterol Xinafoate

>  <Catalog Number> (1,195)
S4296

>  <Synonyms> (1,195)
N/A

>  <Target> (1,195)
Adrenergic Receptor

>  <Form> (1,195)
xinafoate

>  <URL> (1,195)
http://www.selleckchem.com/products/salmeterol-xinafoate.html

>  <CAS Number> (1,195)
94749-08-3

$$$$
Heparin sodium.cdx
csChFnd80/07171813022D

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 70 65  1  0  0  0  0
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A   16
R
A   42
R
A   84
*
A   85
*
M  END
>  <Mol_ID> (1,196)
2365

>  <Formula> (1,196)
C33H47N3O39R4S6-8

>  <MolWeight> (1,196)
1302.11298

>  <Item Name> (1,196)
Heparin sodium

>  <Catalog Number> (1,196)
S1346

>  <Synonyms> (1,196)
N/A

>  <Target> (1,196)
Others

>  <Form> (1,196)
Sodium salt

>  <URL> (1,196)
http://www.selleckchem.com/products/Heparin-sodium.html

>  <CAS Number> (1,196)
9041-08-1

$$$$
Nedaplatin.cdx
csChFnd80/07171813022D
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
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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
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
A    7
;H3N
A    8
;H3N
M  END
>  <Mol_ID> (1,197)
2366

>  <Formula> (1,197)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (1,197)
269.11348

>  <Item Name> (1,197)
Nedaplatin

>  <Catalog Number> (1,197)
S1826

>  <Synonyms> (1,197)
N/A

>  <Target> (1,197)
DNA/RNA Synthesis

>  <Form> (1,197)
Free Base

>  <URL> (1,197)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

>  <CAS Number> (1,197)
95734-82-0

$$$$
Clopidol.cdx
csChFnd80/07171813022D

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    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,198)
2369

>  <Formula> (1,198)
C7H7Cl2NO

>  <MolWeight> (1,198)
192.04258

>  <Item Name> (1,198)
Clopidol

>  <Catalog Number> (1,198)
S4142

>  <Synonyms> (1,198)
N/A

>  <Target> (1,198)
Antifection

>  <Form> (1,198)
Free Base

>  <URL> (1,198)
http://www.selleckchem.com/products/clopidol.html

>  <CAS Number> (1,198)
2971-90-6

$$$$
levobupivacaine hydrochloride.cdx
csChFnd80/07171813022D

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 19 14  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,199)
2382

>  <Formula> (1,199)
C18H29ClN2O

>  <MolWeight> (1,199)
324.88866

>  <Item Name> (1,199)
Levobupivacaine HCl

>  <Catalog Number> (1,199)
S4061

>  <Synonyms> (1,199)
N/A

>  <Target> (1,199)
Sodium Channel

>  <Form> (1,199)
Hydrochloride

>  <URL> (1,199)
http://www.selleckchem.com/products/lvobupivacaine-hcl.html

>  <CAS Number> (1,199)
27262-48-2

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,200)
2384

>  <Formula> (1,200)
C20H28ClN7O3S

>  <MolWeight> (1,200)
481.99942

>  <Item Name> (1,200)
Cerdulatinib (PRT062070, PRT2070)

>  <Catalog Number> (1,200)
S7634

>  <Synonyms> (1,200)
N/A

>  <Target> (1,200)
JAK

>  <Form> (1,200)
Hydrochloride

>  <URL> (1,200)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

>  <CAS Number> (1,200)
1369761-01-2

$$$$
Obeticholic acid.cdx
csChFnd80/07171813022D

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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,201)
2386

>  <Formula> (1,201)
C26H44O4

>  <MolWeight> (1,201)
420.62516

>  <Item Name> (1,201)
Obeticholic Acid

>  <Catalog Number> (1,201)
S7660

>  <Synonyms> (1,201)
INT-747, 6-ECDCA

>  <Target> (1,201)
FXR

>  <Form> (1,201)
Free Base

>  <CAS Number> (1,201)
459789-99-2

$$$$
RG7388.cdx
csChFnd80/07171813022D

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1229705-06-9

$$$$
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csChFnd80/07171813022D

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747-36-4

$$$$
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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
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5/2H2O
M  END
>  <Mol_ID> (1,205)
2392

>  <Formula> (1,205)
C48H58N6Na3O8R+3

>  <MolWeight> (1,205)
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>  <Item Name> (1,205)
LCZ696

>  <Catalog Number> (1,205)
S7678

>  <Synonyms> (1,205)
N/A

>  <Target> (1,205)
RAAS

>  <Form> (1,205)
Sodium salt hydrate

>  <URL> (1,205)
http://www.selleckchem.com/products/lcz696.html

>  <CAS Number> (1,205)
936623-90-4

$$$$
ACILAC (lactulose).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,206)
2394

>  <Formula> (1,206)
C12H22O11

>  <MolWeight> (1,206)
342.29648

>  <Item Name> (1,206)
Lactulose

>  <Catalog Number> (1,206)
S1511

>  <Synonyms> (1,206)
N/A

>  <Target> (1,206)
Others

>  <Form> (1,206)
Free Base

>  <URL> (1,206)
http://www.selleckchem.com/products/Lactulose(Enulose).html

>  <CAS Number> (1,206)
4618-18-2

$$$$
Ledipasvir (GS5885) .cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,207)
2397

>  <Formula> (1,207)
C49H54F2N8O6

>  <MolWeight> (1,207)
888.9998664

>  <Item Name> (1,207)
Ledipasvir (GS5885)

>  <Catalog Number> (1,207)
S7579

>  <Synonyms> (1,207)
N/A

>  <Target> (1,207)
HCV Protease

>  <Form> (1,207)
Free Base

>  <URL> (1,207)
http://www.selleckchem.com/products/ledipasvir-gs5885.html

>  <CAS Number> (1,207)
1256388-51-8

$$$$
Lomitapide mesylate.cdx
csChFnd80/07171813022D

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>  <Formula> (1,208)
C40H41F6N3O5S

>  <MolWeight> (1,208)
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>  <Item Name> (1,208)
Lomitapide Mesylate

>  <Catalog Number> (1,208)
S7633

>  <Synonyms> (1,208)
N/A

>  <Target> (1,208)
Others

>  <Form> (1,208)
Mesylate

>  <URL> (1,208)
http://www.selleckchem.com/products/lomitapide-mesylate.html

>  <CAS Number> (1,208)
202914-84-9

$$$$
Isepamicin sulfate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,209)
2403

>  <Formula> (1,209)
C22H45N5O16S

>  <MolWeight> (1,209)
667.6816

>  <Item Name> (1,209)
Isepamicin Sulphate

>  <Catalog Number> (1,209)
S4271

>  <Synonyms> (1,209)
Isepamicine (Isepamycin, sch21420) Sulphate

>  <Target> (1,209)
Antifection

>  <Form> (1,209)
Sulphate

>  <URL> (1,209)
http://www.selleckchem.com/products/isepamicin-sulphate.html

>  <CAS Number> (1,209)
67814-76-0

$$$$
Defactinib.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,210)
2420

>  <Formula> (1,210)
C20H21F3N8O3S

>  <MolWeight> (1,210)
510.4927496

>  <Item Name> (1,210)
Defactinib (VS-6063, PF-04554878)

>  <Catalog Number> (1,210)
S7654

>  <Synonyms> (1,210)
VS-6063, PF-04554878

>  <Target> (1,210)
FAK

>  <Form> (1,210)
Free Base

>  <URL> (1,210)
http://www.selleckchem.com/products/defactinib.html

>  <CAS Number> (1,210)
1073154-85-4

$$$$
Poziotinib (HM781-36B, NOV120101).cdx
csChFnd80/07171813022D

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NOV120101

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EGFR

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Free Base

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http://www.selleckchem.com/products/poziotinib-hm781-36b.html

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1092364-38-9

$$$$
Edoxaban.cdx
csChFnd80/07171813022D

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>  <Formula> (1,212)
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>  <MolWeight> (1,212)
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>  <Item Name> (1,212)
Edoxaban

>  <Catalog Number> (1,212)
S7280

>  <Synonyms> (1,212)
DU-176b

>  <Target> (1,212)
Factor Xa

>  <Form> (1,212)
Tosylate hydrate

>  <URL> (1,212)
http://www.selleckchem.com/products/edoxaban.html

>  <CAS Number> (1,212)
1229194-11-9

$$$$
BAF312 (Siponimod).cdx
csChFnd80/07171813022D

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>  <Formula> (1,213)
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>  <MolWeight> (1,213)
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>  <Item Name> (1,213)
BAF312 (Siponimod)

>  <Catalog Number> (1,213)
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>  <Synonyms> (1,213)
N/A

>  <Target> (1,213)
S1P Receptor

>  <Form> (1,213)
Free Base

>  <URL> (1,213)
http://www.selleckchem.com/products/baf312-siponimod.html

>  <CAS Number> (1,213)
1230487-00-9

$$$$
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$$$$
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csChFnd80/07171813022D

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$$$$
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148408-66-6

$$$$
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Pemetrexed Disodium Hydrate

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S7785

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LY-231514 Disodium Hydrate

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DHFR

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Disodium Hydrate

>  <URL> (1,217)
http://www.selleckchem.com/products/pemetrexed-disodium-hydrate.html

>  <CAS Number> (1,217)
357166-30-4

$$$$
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>  <Item Name> (1,218)
Dasatinib Monohydrate

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S7782

>  <Synonyms> (1,218)
BMS-354825 Monohydrate

>  <Target> (1,218)
Src

>  <Form> (1,218)
Monohydrate

>  <URL> (1,218)
http://www.selleckchem.com/products/dasatinib-monohydrate.html

>  <CAS Number> (1,218)
863127-77-9

$$$$
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Sunitinib

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SU11248

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PDGFR

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Free Base

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

>  <CAS Number> (1,219)
557795-19-4

$$$$
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csChFnd80/07171813022D

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N/A

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http://www.selleckchem.com/products/elacridar-gf120918.html

>  <CAS Number> (1,220)
143664-11-3

$$$$
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M  END
>  <Mol_ID> (1,221)
2470

>  <Formula> (1,221)
C22H23N3O4

>  <MolWeight> (1,221)
393.43572

>  <Item Name> (1,221)
Erlotinib

>  <Catalog Number> (1,221)
S7786

>  <Synonyms> (1,221)
CP358774, NSC 718781

>  <Target> (1,221)
EGFR

>  <Form> (1,221)
Free Base

>  <URL> (1,221)
http://www.selleckchem.com/products/erlotinib.html

>  <CAS Number> (1,221)
183321-74-6

$$$$
PF-2341066.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,222)
2473

>  <Formula> (1,222)
C21H22Cl2FN5O

>  <MolWeight> (1,222)
450.3366832

>  <Item Name> (1,222)
Crizotinib (PF-02341066)

>  <Catalog Number> (1,222)
S1068

>  <Synonyms> (1,222)
N/A 

>  <Target> (1,222)
c-Met, ALK

>  <Form> (1,222)
Free Base

>  <URL> (1,222)
http://www.selleckchem.com/products/PF-2341066.html

>  <CAS Number> (1,222)
877399-52-5, 877399-53-6 (acetate)

$$$$
PD-0332991 hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,223)
2474

>  <Formula> (1,223)
C24H30ClN7O2

>  <MolWeight> (1,223)
483.9937

>  <Item Name> (1,223)
PD 0332991 (Palbociclib) HCl

>  <Catalog Number> (1,223)
S1116

>  <Synonyms> (1,223)
N/A

>  <Target> (1,223)
CDK

>  <Form> (1,223)
Hydrochloride

>  <URL> (1,223)
http://www.selleckchem.com/products/PD-0332991.html

>  <CAS Number> (1,223)
827022-32-2, 571190-30-2 (free base)

$$$$
PF-00080665.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,224)
2475

>  <Formula> (1,224)
C26H35N7O6S

>  <MolWeight> (1,224)
573.6644

>  <Item Name> (1,224)
PD 0332991 (Palbociclib) Isethionate

>  <Catalog Number> (1,224)
S1579

>  <Synonyms> (1,224)
N/A

>  <Target> (1,224)
CDK

>  <Form> (1,224)
Isethionate

>  <URL> (1,224)
http://www.selleckchem.com/products/pd-0332991-palbociclib-isethionate.html

>  <CAS Number> (1,224)
827022-33-3, 571190-30-2(free base)

$$$$
S-crizotinib.cdx
csChFnd80/07171813022D

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$$$$
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N/A

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EGFR

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>  <URL> (1,226)
http://www.selleckchem.com/products/afatinib-bibw2992-dimaleate.html

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850140-73-7

$$$$
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1047644-62-1

$$$$
Marimastat (BB-25.cdx
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154039-60-8

$$$$
XL147.cdx
csChFnd80/07171813022D

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934526-89-3

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http://www.selleckchem.com/products/gentamicin-sulfate.html

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1405-41-0

$$$$
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csChFnd80/07171813022D

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1029044-16-3

$$$$
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http://www.selleckchem.com/products/cobimetinib-gdc-0973-rg7420.html

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934660-93-2

$$$$
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869886-67-9

$$$$
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csChFnd80/07171813022D

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Tenofovir Alafenamide (GS-7340)

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N/A

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Reverse Transcriptase

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Free Base

>  <URL> (1,236)
http://www.selleckchem.com/products/tenofovir-alafenamide-gs-7340.html

>  <CAS Number> (1,236)
379270-37-8

$$$$
Eltrombopag diethanolamine salt.cdx
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C29H36N6O6

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>  <Item Name> (1,237)
Eltrombopag olamine

>  <Catalog Number> (1,237)
S2229

>  <Synonyms> (1,237)
SB-497115-GR, SB497115

>  <Target> (1,237)
Thrombin

>  <Form> (1,237)
diolamine

>  <URL> (1,237)
http://www.selleckchem.com/products/Eltrombopag-SB-497115-GR.html

>  <CAS Number> (1,237)
496775-62-3

$$$$
Eltrombopag (Promacta).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,238)
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>  <Formula> (1,238)
C25H22N4O4

>  <MolWeight> (1,238)
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>  <Item Name> (1,238)
Eltrombopag

>  <Catalog Number> (1,238)
S4502

>  <Synonyms> (1,238)
N/A

>  <Target> (1,238)
Thrombin

>  <Form> (1,238)
Free Base

>  <URL> (1,238)
http://www.selleckchem.com/products/eltrombopag.html

>  <CAS Number> (1,238)
496775-61-2

$$$$
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csChFnd80/07171813022D

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>  <Mol_ID> (1,239)
2540

>  <Formula> (1,239)
C16H31N2O8P

>  <MolWeight> (1,239)
410.399701

>  <Item Name> (1,239)
Oseltamivir Phosphate

>  <Catalog Number> (1,239)
S2597

>  <Synonyms> (1,239)
N/A

>  <Target> (1,239)
Antifection

>  <Form> (1,239)
Phosphate salt

>  <URL> (1,239)
http://www.selleckchem.com/products/oseltamivir-phosphate-Tamiflu.html

>  <CAS Number> (1,239)
204255-11-8

$$$$
S4002.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,240)
2541

>  <Formula> (1,240)
C16H20F6N5O6P

>  <MolWeight> (1,240)
523.3240802

>  <Item Name> (1,240)
Sitagliptin phosphate monohydrate

>  <Catalog Number> (1,240)
S4002

>  <Synonyms> (1,240)
MK-0431

>  <Target> (1,240)
DPP-4

>  <Form> (1,240)
phosphate &monohydrate

>  <URL> (1,240)
http://www.selleckchem.com/products/Sitagliptin.html

>  <CAS Number> (1,240)
654671-77-9

$$$$
S4117.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,241)
2542

>  <Formula> (1,241)
C5H15N3O8P2

>  <MolWeight> (1,241)
307.135422

>  <Item Name> (1,241)
Histamine Phosphate

>  <Catalog Number> (1,241)
S4117

>  <Synonyms> (1,241)
N/A

>  <Target> (1,241)
Histamine Receptor

>  <Form> (1,241)
Free Base

>  <URL> (1,241)
http://www.selleckchem.com/products/histamine-phosphate.html

>  <CAS Number> (1,241)
51-74-1

$$$$
Dibutyryl-cAMP.cdx
csChFnd80/07171813022D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,242)
2551

>  <Formula> (1,242)
C18H23N5NaO8P

>  <MolWeight> (1,242)
491.367451

>  <Item Name> (1,242)
Dibutyryl-cAMP (Bucladesine)

>  <Catalog Number> (1,242)
S7858

>  <Synonyms> (1,242)
dbcAMP

>  <Target> (1,242)
PKA

>  <Form> (1,242)
sodium salt

>  <URL> (1,242)
http://www.selleckchem.com/products/dibutyryl-camp-bucladesine.html

>  <CAS Number> (1,242)
16980-89-5

$$$$
S3027.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,243)
2553

>  <Formula> (1,243)
C30H30CaO8

>  <MolWeight> (1,243)
558.6324

>  <Item Name> (1,243)
Fenoprofen calcium hydrate

>  <Catalog Number> (1,243)
S3027

>  <Synonyms> (1,243)
N/A

>  <Target> (1,243)
Immunology & Inflammation related

>  <Form> (1,243)
Calcium dihydrate salt

>  <URL> (1,243)
http://www.selleckchem.com/products/fenoprofen-calcium-hydrate.html

>  <CAS Number> (1,243)
71720-56-4

$$$$
S4059.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,244)
2554

>  <Formula> (1,244)
C5FeN6Na2O

>  <MolWeight> (1,244)
261.91764

>  <Item Name> (1,244)
Sodium Nitroprusside

>  <Catalog Number> (1,244)
S4059

>  <Synonyms> (1,244)
N/A

>  <Target> (1,244)
Others

>  <Form> (1,244)
Fe complex

>  <URL> (1,244)
http://www.selleckchem.com/products/sodium-nitroprusside.html

>  <CAS Number> (1,244)
14402-89-2

$$$$
Sertaconazole nitrate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,245)
2556

>  <Formula> (1,245)
C20H16Cl3N3O4S

>  <MolWeight> (1,245)
500.78274

>  <Item Name> (1,245)
Sertaconazole nitrate

>  <Catalog Number> (1,245)
S3161

>  <Synonyms> (1,245)
FI-7045

>  <Target> (1,245)
Antifection

>  <Form> (1,245)
Nitrate

>  <URL> (1,245)
http://www.selleckchem.com/products/sertaconazole-nitrate.html

>  <CAS Number> (1,245)
99592-39-9

$$$$
Epacadostat (INCB024360).cdx
csChFnd80/07171813022D

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>  <Formula> (1,246)
C11H13BrFN7O4S

>  <MolWeight> (1,246)
438.2328232

>  <Item Name> (1,246)
Epacadostat (INCB024360)

>  <Catalog Number> (1,246)
S7910

>  <Synonyms> (1,246)
N/A

>  <Target> (1,246)
IDO

>  <Form> (1,246)
Free Base

>  <URL> (1,246)
http://www.selleckchem.com/products/epacadostat-incb024360.html

>  <CAS Number> (1,246)
1204669-58-8

$$$$
Oltipraz.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,247)
2568

>  <Formula> (1,247)
C8H6N2S3

>  <MolWeight> (1,247)
226.34164

>  <Item Name> (1,247)
Oltipraz

>  <Catalog Number> (1,247)
S7864

>  <Synonyms> (1,247)
N/A

>  <Target> (1,247)
Nrf2

>  <Form> (1,247)
Free Base

>  <URL> (1,247)
http://www.selleckchem.com/products/oltipraz.html

>  <CAS Number> (1,247)
64224-21-1

$$$$
Vidofludimus .cdx
csChFnd80/07171813022D

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2582

>  <Formula> (1,248)
C20H18FNO4

>  <MolWeight> (1,248)
355.3596232

>  <Item Name> (1,248)
Vidofludimus

>  <Catalog Number> (1,248)
S7262

>  <Synonyms> (1,248)
SC12267, 4SC-101

>  <Target> (1,248)
Dehydrogenase

>  <Form> (1,248)
Free Base

>  <URL> (1,248)
http://www.selleckchem.com/products/vidofludimus.html

>  <CAS Number> (1,248)
717824-30-1

$$$$
S4503.cdx
csChFnd80/07171813022D

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Calcium D-Panthotenate

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D-Pantothenic Acid Calcium

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Vitamin

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Free Base

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137-08-6

$$$$
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Quisinostat (JNJ-26481585) 2HCl

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N/A

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HDAC

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Dihydrochloride

>  <URL> (1,250)
http://www.selleckchem.com/products/JNJ-26481585.html

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875320-31-3

$$$$
Cilengitide (EMD 121974).cdx
csChFnd80/07171813022D

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Cilengitide trifluoroacetate

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>  <Synonyms> (1,251)
EMD 121974, NSC 707544

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>  <Form> (1,251)
Trifluoroacetat

>  <URL> (1,251)
http://www.selleckchem.com/products/cilengitide-emd-121974-nsc-707544.html

>  <CAS Number> (1,251)
188968-51-6

$$$$
T-705 (Favipiravir).cdx
csChFnd80/07171813022D

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DNA/RNA Synthesis

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Free Base

>  <URL> (1,252)
http://www.selleckchem.com/products/favipiravir-t-705.html

>  <CAS Number> (1,252)
259793-96-9

$$$$
BBI608(Napabucasin.cdx
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$$$$
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1108743-60-7

$$$$
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6112-76-1

$$$$
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1018899-04-1

$$$$
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>  <Mol_ID> (1,257)
2631

>  <Formula> (1,257)
C29H33FN2O4

>  <MolWeight> (1,257)
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>  <Item Name> (1,257)
Vorapaxar (SCH 530348)

>  <Catalog Number> (1,257)
S8067

>  <Synonyms> (1,257)
SCH 530348, MK-5348

>  <Target> (1,257)
Protease-activated Receptor

>  <Form> (1,257)
Free Base

>  <URL> (1,257)
http://www.selleckchem.com/products/vorapaxar.html

>  <CAS Number> (1,257)
618385-01-6

$$$$
VTX-2337.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,258)
2635

>  <Formula> (1,258)
C28H34N4O2

>  <MolWeight> (1,258)
458.59516

>  <Item Name> (1,258)
Motolimod (VTX-2337)

>  <Catalog Number> (1,258)
S7161

>  <Synonyms> (1,258)
N/A

>  <Target> (1,258)
TLR

>  <Form> (1,258)
Free Base

>  <URL> (1,258)
http://www.selleckchem.com/products/motolimod-vtx-2337.html

>  <CAS Number> (1,258)
926927-61-9

$$$$
Fumagillin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,259)
2643

>  <Formula> (1,259)
C26H34O7

>  <MolWeight> (1,259)
458.54396

>  <Item Name> (1,259)
Fumagillin

>  <Catalog Number> (1,259)
S7784

>  <Synonyms> (1,259)
N/A

>  <Target> (1,259)
Others

>  <Form> (1,259)
Free Base

>  <URL> (1,259)
http://www.selleckchem.com/products/fumagillin.html

>  <CAS Number> (1,259)
23110-15-8

$$$$
Riociguat(BAY 63-2521).cdx
csChFnd80/07171813022D

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2646

>  <Formula> (1,260)
C20H19FN8O2

>  <MolWeight> (1,260)
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>  <Item Name> (1,260)
Riociguat (BAY 63-2521)

>  <Catalog Number> (1,260)
S8135

>  <Synonyms> (1,260)
N/A

>  <Target> (1,260)
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>  <Form> (1,260)
Free Base

>  <URL> (1,260)
http://www.selleckchem.com/products/riociguat-bay-63-2521.html

>  <CAS Number> (1,260)
625115-55-1

$$$$
Flavopiridol hydrochloride.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,261)
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>  <Formula> (1,261)
C21H20ClNO5

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Flavopiridol (Alvocidib)

>  <Catalog Number> (1,261)
S1230

>  <Synonyms> (1,261)
NSC 649890 HCl,HMR-1275

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CDK

>  <Form> (1,261)
Free Base

>  <URL> (1,261)
http://www.selleckchem.com/products/Flavopiridol.html

>  <CAS Number> (1,261)
146426-40-6

$$$$
Voxtalisib (XL765, SAR245409).cdx
csChFnd80/07171813022D

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>  <Formula> (1,262)
C13H14N6O

>  <MolWeight> (1,262)
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Voxtalisib (XL765, SAR245409)

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S7646

>  <Synonyms> (1,262)
N/A

>  <Target> (1,262)
PI3K

>  <Form> (1,262)
Free Base

>  <URL> (1,262)
http://www.selleckchem.com/products/voxtalisib-xl765-sar245409.html

>  <CAS Number> (1,262)
934493-76-2

$$$$
Mitomycin C.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,263)
2653

>  <Formula> (1,263)
C15H18N4O5

>  <MolWeight> (1,263)
334.32722

>  <Item Name> (1,263)
Mitomycin C

>  <Catalog Number> (1,263)
S8146

>  <Synonyms> (1,263)
N/A
N/A
N/A

>  <Target> (1,263)
DNA/RNA Synthesis

>  <Form> (1,263)
Free Base

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

>  <CAS Number> (1,263)
50-07-7

$$$$
Radotinib (IY-5511).cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,264)
2659

>  <Formula> (1,264)
C27H21F3N8O

>  <MolWeight> (1,264)
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>  <Item Name> (1,264)
Radotinib

>  <Catalog Number> (1,264)
S8134

>  <Synonyms> (1,264)
IY-5511

>  <Target> (1,264)
Bcr-Abl

>  <Form> (1,264)
Free Base

>  <URL> (1,264)
http://www.selleckchem.com/products/radotinib.html

>  <CAS Number> (1,264)
926037-48-1

$$$$
Ripasudil (K-115) hydrochloride dihydrate.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,265)
2660

>  <Formula> (1,265)
C15H23ClFN3O4S

>  <MolWeight> (1,265)
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>  <Item Name> (1,265)
Ripasudil (K-115)

>  <Catalog Number> (1,265)
S7995

>  <Synonyms> (1,265)
N/A

>  <Target> (1,265)
ROCK

>  <Form> (1,265)
Hydrochloride dihydrate

>  <URL> (1,265)
http://www.selleckchem.com/products/ripasudil-k-115.html

>  <CAS Number> (1,265)
887375-67-9

$$$$
Ozanimod.cdx
csChFnd80/07171813022D

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1306760-87-1

$$$$
Nolvadex (Tamoxifen Citrate).cdx
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ICI 46474

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/07171813022D

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HIF

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Free Base

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http://www.selleckchem.com/products/molidustat-(bay85-3934).html

>  <CAS Number> (1,268)
1154028-82-6

$$$$

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M  END
>  <Mol_ID> (1,269)
2679

>  <Formula> (1,269)
C38H42Cl2F4N6O9

>  <MolWeight> (1,269)
873.6744928

>  <Item Name> (1,269)
Sitafloxacin hydrate

>  <Catalog Number> (1,269)
S2152

>  <Synonyms> (1,269)
DU 6859A, DU 6859, DU-6859, LS-184401

>  <Target> (1,269)
Antifection

>  <Form> (1,269)
1.5 hydrate

>  <URL> (1,269)
http://www.selleckchem.com/products/Sitafloxacin(DU-6859A).html

>  <CAS Number> (1,269)
163253-35-8, 163253-37-0 (H2O), 127254-12-0 (free base), 3466

$$$$
Pimavanserin (ACP-103).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,270)
2685

>  <Formula> (1,270)
C54H74F2N6O10

>  <MolWeight> (1,270)
1005.1963664

>  <Item Name> (1,270)
Pimavanserin

>  <Catalog Number> (1,270)
S8183

>  <Synonyms> (1,270)
ACP-103

>  <Target> (1,270)
5-HT Receptor

>  <Form> (1,270)
Tartrate

>  <URL> (1,270)
http://www.selleckchem.com/products/pimavanserin.html

>  <CAS Number> (1,270)
706782-28-7

$$$$
GSK2141795.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,271)
2690

>  <Formula> (1,271)
C18H16Cl2F2N4O2

>  <MolWeight> (1,271)
429.2480464

>  <Item Name> (1,271)
Uprosertib (GSK2141795)

>  <Catalog Number> (1,271)
S7492

>  <Synonyms> (1,271)
GSK795

>  <Target> (1,271)
Akt

>  <Form> (1,271)
Free Base

>  <URL> (1,271)
http://www.selleckchem.com/products/gsk2141795.html

>  <CAS Number> (1,271)
1047634-65-0

$$$$
Oclacitinib maleate.cdx
csChFnd80/07171813022D

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>  <Target> (1,272)
JAK

>  <Form> (1,272)
Free Base

>  <URL> (1,272)
http://www.selleckchem.com/products/oclacitinib-maleate.html

>  <CAS Number> (1,272)
1640292-55-2

$$$$
Acalabrutinib.cdx
csChFnd80/07171813022D

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>  <Item Name> (1,273)
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>  <Catalog Number> (1,273)
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>  <Synonyms> (1,273)
N/A

>  <Target> (1,273)
BTK

>  <Form> (1,273)
Free Base

>  <URL> (1,273)
http://www.selleckchem.com/products/acalabrutinib.html

>  <CAS Number> (1,273)
1420477-60-6

$$$$
Bitopertin (RG1678; RO-4917838).cdx
csChFnd80/07171813022D

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2711

>  <Formula> (1,274)
C21H20F7N3O4S

>  <MolWeight> (1,274)
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>  <Item Name> (1,274)
Bitopertin (RG1678,RO-4917838)

>  <Catalog Number> (1,274)
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>  <Synonyms> (1,274)
RG1678, RO-4917838

>  <Target> (1,274)
GlyT

>  <Form> (1,274)
Free Base

>  <URL> (1,274)
http://www.selleckchem.com/products/bitopertin-rg1678-ro-4917838.html

>  <CAS Number> (1,274)
845614-11-1

$$$$
Vinblastine sulfate.cdx
csChFnd80/07171813022D

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Vinblastine sulfate

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Microtubule Associated

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143-67-9

$$$$
Eliglustat (Tartrate).cdx
csChFnd80/07171813022D

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491833-29-5

$$$$
CB1954.cdx
csChFnd80/07171813022D

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Free Base

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http://www.selleckchem.com/products/cb1954.html

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21919-05-1

$$$$
Ponesimod (ACT-128800).cdx
csChFnd80/07171813022D

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ACT-128800

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S1P Receptor

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Free Base

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http://www.selleckchem.com/products/ponesimod-act-128800.html

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854107-55-4

$$$$
Acetazolamide.cdx
csChFnd80/07171813022D

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Diamox

>  <Target> (1,279)
Carbonic Anhydrase

>  <Form> (1,279)
Free Base

>  <URL> (1,279)
http://www.selleckchem.com/products/acetazolamide.html

>  <CAS Number> (1,279)
59-66-5

$$$$
17-Hydroxyprogesterone.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,280)
2732

>  <Formula> (1,280)
C21H30O3

>  <MolWeight> (1,280)
330.4611

>  <Item Name> (1,280)
17-Hydroxyprogesterone

>  <Catalog Number> (1,280)
S4507

>  <Synonyms> (1,280)
N/A

>  <Target> (1,280)
Estrogen/progestogen Receptor

>  <Form> (1,280)
Free Base

>  <URL> (1,280)
http://www.selleckchem.com/products/17-hydroxyprogesterone.html

>  <CAS Number> (1,280)
68-96-2

$$$$
AG-221 (Enasidenib).cdx
csChFnd80/07171813022D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (1,281)
2735

>  <Formula> (1,281)
C19H17F6N7O

>  <MolWeight> (1,281)
473.3749992

>  <Item Name> (1,281)
AG-221 (Enasidenib)

>  <Catalog Number> (1,281)
S8205

>  <Synonyms> (1,281)
N/A

>  <Target> (1,281)
Dehydrogenase

>  <Form> (1,281)
Free Base

>  <URL> (1,281)
http://www.selleckchem.com/products/ag-221-enasidenib.html

>  <CAS Number> (1,281)
1446502-11-9

$$$$
Chloroxylenol.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,282)
2740

>  <Formula> (1,282)
C8H9ClO

>  <MolWeight> (1,282)
156.60946

>  <Item Name> (1,282)
Chloroxylenol

>  <Catalog Number> (1,282)
S4518

>  <Synonyms> (1,282)
N/A

>  <Target> (1,282)
Antifection

>  <Form> (1,282)
Free Base

>  <URL> (1,282)
http://www.selleckchem.com/products/chloroxylenol.html

>  <CAS Number> (1,282)
88-04-0

$$$$
Cefotaxime sodium.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,283)
2741

>  <Formula> (1,283)
C16H16N5NaO7S2

>  <MolWeight> (1,283)
477.44731

>  <Item Name> (1,283)
Cefotaxime sodium

>  <Catalog Number> (1,283)
S4517

>  <Synonyms> (1,283)
N/A

>  <Target> (1,283)
Antifection

>  <Form> (1,283)
Sodium Salt

>  <URL> (1,283)
http://www.selleckchem.com/products/cefotaxime-sodium.html

>  <CAS Number> (1,283)
64485-93-4

$$$$
Fenofibric acid.cdx
csChFnd80/07171813022D

 22 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,284)
2744

>  <Formula> (1,284)
C17H15ClO4

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>  <Item Name> (1,284)
Fenofibric acid

>  <Catalog Number> (1,284)
S4527

>  <Synonyms> (1,284)
NSC 281318, Trilipix, FNF acid

>  <Form> (1,284)
Free Base

>  <URL> (1,284)
http://www.selleckchem.com/products/fenofibric-acid.html

>  <CAS Number> (1,284)
42017-89-0

$$$$
Fenbufen.cdx
csChFnd80/07171813022D

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>  <Mol_ID> (1,285)
2745

>  <Formula> (1,285)
C16H14O3

>  <MolWeight> (1,285)
254.28056

>  <Item Name> (1,285)
Fenbufen

>  <Catalog Number> (1,285)
S4526

>  <Synonyms> (1,285)
Lederfen, CL-82204

>  <Target> (1,285)
COX

>  <Form> (1,285)
Free Base

>  <URL> (1,285)
http://www.selleckchem.com/products/fenbufen.html

>  <CAS Number> (1,285)
36330-85-5

$$$$
Dihydrostreptomycin sulfate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,286)
2747

>  <Formula> (1,286)
C42H88N14O36S3

>  <MolWeight> (1,286)
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>  <Item Name> (1,286)
Dihydrostreptomycin sulfate

>  <Catalog Number> (1,286)
S4523

>  <Synonyms> (1,286)
N/A

>  <Target> (1,286)
Antifection

>  <Form> (1,286)
1.5Sulfate

>  <URL> (1,286)
http://www.selleckchem.com/products/dihydrostreptomycin-sulfate.html

>  <CAS Number> (1,286)
5490-27-7

$$$$
Pentamidine isethionate.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,287)
2750

>  <Formula> (1,287)
C23H36N4O10S2

>  <MolWeight> (1,287)
592.68274

>  <Item Name> (1,287)
Pentamidine isethionate

>  <Catalog Number> (1,287)
S4007

>  <Synonyms> (1,287)
N/A

>  <Target> (1,287)
Others

>  <Form> (1,287)
Free Base

>  <URL> (1,287)
http://www.selleckchem.com/products/pentamidine-isethionate.html

>  <CAS Number> (1,287)
140-64-7

$$$$
Esomeprazole sodium.cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4165    3.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,288)
2751

>  <Formula> (1,288)
C17H18N3NaO3S

>  <MolWeight> (1,288)
367.39789

>  <Item Name> (1,288)
Esomeprazole sodium

>  <Catalog Number> (1,288)
S2233

>  <Synonyms> (1,288)
N/A

>  <Target> (1,288)
ATPase

>  <Form> (1,288)
Sodium salt

>  <URL> (1,288)
http://www.selleckchem.com/products/esomeprazole-sodium.html

>  <CAS Number> (1,288)
161796-78-7

$$$$
NEXIUM (esomeprazole magnesium).cdx
csChFnd80/07171813022D

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   17.3372    5.3412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.5497    7.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.7579    8.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9166    8.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
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 47 48  1  0  0  0  0
M  END
>  <Mol_ID> (1,289)
2752

>  <Formula> (1,289)
C34H36MgN6O6S2

>  <MolWeight> (1,289)
713.12124

>  <Item Name> (1,289)
NEXIUM (esomeprazole magnesium)

>  <Catalog Number> (1,289)
S1743

>  <Synonyms> (1,289)
N/A

>  <Target> (1,289)
Proton Pump

>  <Form> (1,289)
Magnesium salt

>  <URL> (1,289)
http://www.selleckchem.com/products/nexium-esomeprazole-magnesium.html

>  <CAS Number> (1,289)
161973-10-0

$$$$
i-Inositol.cdx
csChFnd80/07171813022D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,290)
2756

>  <Formula> (1,290)
C6H12O6

>  <MolWeight> (1,290)
180.15588

>  <Item Name> (1,290)
i-Inositol

>  <Catalog Number> (1,290)
S4530

>  <Synonyms> (1,290)
myo-inositol

>  <Target> (1,290)
Others

>  <Form> (1,290)
Free Base

>  <URL> (1,290)
http://www.selleckchem.com/products/i-inositol.html

>  <CAS Number> (1,290)
87-89-8

$$$$
Furazolidone.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,291)
2757

>  <Formula> (1,291)
C8H7N3O5

>  <MolWeight> (1,291)
225.15828

>  <Item Name> (1,291)
Furazolidone

>  <Catalog Number> (1,291)
S4528

>  <Synonyms> (1,291)
N/A

>  <Target> (1,291)
Antifection

>  <Form> (1,291)
Free Base

>  <URL> (1,291)
http://www.selleckchem.com/products/furazolidone.html

>  <CAS Number> (1,291)
67-45-8

$$$$
Citric acid trilithium salt tetrahydrate.cdx
csChFnd80/07171813022D

 20 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    4.8497    3.5000    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    4.9000    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
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3113   28.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890   28.4300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4502   18.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7279   18.7078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  2  0  0  0  0
  1  2  1  0  0  0  0
 11 12  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Mol_ID> (1,292)
2758

>  <Formula> (1,292)
C6H13Li3O11

>  <MolWeight> (1,292)
281.98382

>  <Item Name> (1,292)
Citric acid trilithium salt tetrahydrate

>  <Catalog Number> (1,292)
S4519

>  <Synonyms> (1,292)
Trilithium citrate tetrahydrate, Lithium citrate tribasic tetrahydrate

>  <Target> (1,292)
Others

>  <Form> (1,292)
Free Base

>  <URL> (1,292)
http://www.selleckchem.com/products/citric-acid-trilithium-salt-tetrahydrate.html

>  <CAS Number> (1,292)
6080-58-6

$$$$
Ethylparaben.cdx
csChFnd80/07171813022D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,293)
2760

>  <Formula> (1,293)
C9H10O3

>  <MolWeight> (1,293)
166.1739

>  <Item Name> (1,293)
Ethylparaben

>  <Catalog Number> (1,293)
S4525

>  <Synonyms> (1,293)
Ethyl parahydroxybenzoate, Ethyl 4-hydroxybenzoate

>  <Target> (1,293)
Antifection

>  <Form> (1,293)
Free Base

>  <URL> (1,293)
http://www.selleckchem.com/products/ethylparaben.html

>  <CAS Number> (1,293)
120-47-8

$$$$
Iopamidol.cdx
csChFnd80/07171813022D

 31 31  0  0  0  0  0  0  0  0999 V2000
    6.0623    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    8.4001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2001    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    6.3002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    0.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6997    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    9.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 22 29  1  6  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,294)
2761

>  <Formula> (1,294)
C17H22I3N3O8

>  <MolWeight> (1,294)
777.08529

>  <Item Name> (1,294)
Iopamidol

>  <Catalog Number> (1,294)
S4532

>  <Synonyms> (1,294)
Iopamiro, Isovue, Iopamiron, Niopam, Solutrast

>  <Target> (1,294)
Others

>  <Form> (1,294)
Free Base

>  <URL> (1,294)
http://www.selleckchem.com/products/iopamidol.html

>  <CAS Number> (1,294)
60166-93-0

$$$$
Nitrofurantoin.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6116    2.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3338    2.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    0.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    3.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3915    1.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    0.6583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4916    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8240    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0433    5.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2029    6.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2674    5.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5738    6.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6590    5.4267    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.5015    6.5448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2217    4.1448    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5  6  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,295)
2762

>  <Formula> (1,295)
C8H6N4O5

>  <MolWeight> (1,295)
238.15704

>  <Item Name> (1,295)
Nitrofurantoin

>  <Catalog Number> (1,295)
S4536

>  <Synonyms> (1,295)
Macrodantin, Furadantine, Furadonine

>  <Target> (1,295)
Antifection

>  <Form> (1,295)
Free Base

>  <URL> (1,295)
http://www.selleckchem.com/products/nitrofurantoin.html

>  <CAS Number> (1,295)
67-20-9

$$$$
Dehydroacetic acid.cdx
csChFnd80/07171813022D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,296)
2764

>  <Formula> (1,296)
C8H8O4

>  <MolWeight> (1,296)
168.14672

>  <Item Name> (1,296)
Dehydroacetic acid

>  <Catalog Number> (1,296)
S4522

>  <Synonyms> (1,296)
Biocide 470F, Methylacetopyronone

>  <Target> (1,296)
Antifection

>  <Form> (1,296)
Free Base

>  <URL> (1,296)
http://www.selleckchem.com/products/dehydroacetic-acid.html

>  <CAS Number> (1,296)
520-45-6

$$$$
DEET.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4322    3.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    4.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4199    2.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    5.6007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0018    3.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    4.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8539    2.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2694    3.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0936    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,297)
2765

>  <Formula> (1,297)
C12H17NO

>  <MolWeight> (1,297)
191.26948

>  <Item Name> (1,297)
DEET

>  <Catalog Number> (1,297)
S4521

>  <Synonyms> (1,297)
N,N-Diethyl-meta-toluamide, diethyltoluamide

>  <Target> (1,297)
Antifection

>  <Form> (1,297)
Free Base

>  <URL> (1,297)
http://www.selleckchem.com/products/deet.html

>  <CAS Number> (1,297)
134-62-3

$$$$
Acetylleucine.cdx
csChFnd80/07171813022D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.4249    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.1249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  1 13  1  6  0  0  0
M  END
>  <Mol_ID> (1,298)
2767

>  <Formula> (1,298)
C8H15NO3

>  <MolWeight> (1,298)
173.2096

>  <Item Name> (1,298)
Acetylleucine

>  <Catalog Number> (1,298)
S4514

>  <Synonyms> (1,298)
N-acetyl-L-leucine

>  <Target> (1,298)
Others

>  <Form> (1,298)
Free Base

>  <URL> (1,298)
http://www.selleckchem.com/products/acetylleucine.html

>  <CAS Number> (1,298)
99-15-0

$$$$
Aceglutamide.cdx
csChFnd80/07171813022D

 13 12  0  0  0  0  0  0  0  0999 V2000
    4.8382    3.4913    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6296    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    2.1110    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0502    5.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2724    3.4913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    4.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    2.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    5.5957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (1,299)
2768

>  <Formula> (1,299)
C7H12N2O4

>  <MolWeight> (1,299)
188.18118

>  <Item Name> (1,299)
Aceglutamide

>  <Catalog Number> (1,299)
S4512

>  <Synonyms> (1,299)
¦Á-N-Acetyl-L-glutamine, N2-Acetylglutamine

>  <Target> (1,299)
Others

>  <Form> (1,299)
Free Base

>  <URL> (1,299)
http://www.selleckchem.com/products/aceglutamide.html

>  <CAS Number> (1,299)
2490-97-3

$$$$
Bucetin.cdx
csChFnd80/07171813022D

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,300)
2770

>  <Formula> (1,300)
C12H17NO3

>  <MolWeight> (1,300)
223.26828

>  <Item Name> (1,300)
Bucetin

>  <Catalog Number> (1,300)
S4554

>  <Synonyms> (1,300)
N/A

>  <Target> (1,300)
Others

>  <Form> (1,300)
Free Base

>  <URL> (1,300)
http://www.selleckchem.com/products/bucetin.html

>  <CAS Number> (1,300)
1083-57-4

$$$$
Bithionol.cdx
csChFnd80/07171813022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6453    3.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8577    4.1791    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    4.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0732    3.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    5.5867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    1.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1083    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2023    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    0.0199    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5058    3.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2663    5.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5081    2.1147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7182    4.1808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
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 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,301)
2771

>  <Formula> (1,301)
C12H6Cl4O2S

>  <MolWeight> (1,301)
356.05184

>  <Item Name> (1,301)
Bithionol

>  <Catalog Number> (1,301)
S4552

>  <Synonyms> (1,301)
Actamer

>  <Target> (1,301)
cAMP

>  <Form> (1,301)
Free Base

>  <URL> (1,301)
http://www.selleckchem.com/products/bithionol.html

>  <CAS Number> (1,301)
97-18-7

$$$$
Resorcinol.cdx
csChFnd80/07171813022D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.4183    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    2.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8468    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,302)
2772

>  <Formula> (1,302)
C6H6O2

>  <MolWeight> (1,302)
110.11064

>  <Item Name> (1,302)
Resorcinol

>  <Catalog Number> (1,302)
S4579

>  <Synonyms> (1,302)
m-dihydroxybenzene, 3-hydroxyphenol

>  <Target> (1,302)
Antifection

>  <Form> (1,302)
Free Base

>  <URL> (1,302)
http://www.selleckchem.com/products/resorcinol.html

>  <CAS Number> (1,302)
108-46-3

$$$$
Aminoguanidine (hydrochloride).cdx
csChFnd80/07171813022D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.4247    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    1.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.5235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.1238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,303)
2773

>  <Formula> (1,303)
CH7ClN4

>  <MolWeight> (1,303)
110.54608

>  <Item Name> (1,303)
Aminoguanidine (hydrochloride)

>  <Catalog Number> (1,303)
S4548

>  <Synonyms> (1,303)
Pimagedine, Guanyl hydrazine, Hydrazinecarboximidamide, Imino semicarbazide, Monoaminoguanidine

>  <Target> (1,303)
Others

>  <Form> (1,303)
hydrochloride

>  <URL> (1,303)
http://www.selleckchem.com/products/aminoguanidine-hydrochloride.html

>  <CAS Number> (1,303)
1937-19-5

$$$$
Diethylcarbamazine (citrate).cdx
csChFnd80/07171813022D

 27 26  0  0  0  0  0  0  0  0999 V2000
    3.6248    2.6912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    3.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6144    1.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3991    3.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    2.6914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    4.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4152    0.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879    2.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   13.4455    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.6579    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0828    0.7000    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  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,304)
2775

>  <Formula> (1,304)
C16H29N3O8

>  <MolWeight> (1,304)
391.41676

>  <Item Name> (1,304)
Diethylcarbamazine (citrate)

>  <Catalog Number> (1,304)
S4564

>  <Synonyms> (1,304)
N/A

>  <Target> (1,304)
Antifection

>  <Form> (1,304)
Free Base

>  <URL> (1,304)
http://www.selleckchem.com/products/diethylcarbamazine-citrate.html

>  <CAS Number> (1,304)
1642-54-2

$$$$
Danthron.cdx
csChFnd80/07171813022D

 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
    3.6380    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8360    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6380    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0543    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  2  0  0  0  0
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 11 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,305)
2776

>  <Formula> (1,305)
C14H8O4

>  <MolWeight> (1,305)
240.21092

>  <Item Name> (1,305)
Danthron

>  <Catalog Number> (1,305)
S4561

>  <Synonyms> (1,305)
chrysazin, Antrapurol

>  <Target> (1,305)
Others

>  <Form> (1,305)
Free Base

>  <URL> (1,305)
http://www.selleckchem.com/products/danthron.html

>  <CAS Number> (1,305)
117-10-2

$$$$
Trihexyphenidyl (hydrochloride).cdx
csChFnd80/07171813022D

 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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 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,306)
2778

>  <Formula> (1,306)
C20H32ClNO

>  <MolWeight> (1,306)
337.92718

>  <Item Name> (1,306)
Trihexyphenidyl hydrochloride

>  <Catalog Number> (1,306)
S4542

>  <Synonyms> (1,306)
Benzhexol hydrochloride, Artane hydrochloride

>  <Target> (1,306)
AChR

>  <Form> (1,306)
hydrochloride

>  <URL> (1,306)
http://www.selleckchem.com/products/trihexyphenidyl-hydrochloride.html

>  <CAS Number> (1,306)
52-49-3

$$$$
Trimetazidine (dihydrochloride).cdx
csChFnd80/07171813022D

 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
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    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
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  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
  8  9  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 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> (1,307)
2779

>  <Formula> (1,307)
C14H24Cl2N2O3

>  <MolWeight> (1,307)
339.25796

>  <Item Name> (1,307)
Trimetazidine dihydrochloride

>  <Catalog Number> (1,307)
S4543

>  <Synonyms> (1,307)
Yoshimilon, Kyurinett, Vastarel F

>  <Target> (1,307)
Others

>  <Form> (1,307)
Dihydrochloride

>  <URL> (1,307)
http://www.selleckchem.com/products/trimetazidine-dihydrochloride.html

>  <CAS Number> (1,307)
13171-25-0

$$$$
Pantoprazole sodium.cdx
csChFnd80/07171813022D

 27 28  0  0  0  0  0  0  0  0999 V2000
    6.1061    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    3.6645    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    1.3806    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.9055    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2406    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7115    1.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358    2.5289    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    2.4788    3.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3497    3.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    3.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7384    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2329    1.8346    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4390    0.1279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    2.5289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5413    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.1700    3.9563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
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  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
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 15 18  2  0  0  0  0
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 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,308)
2780

>  <Formula> (1,308)
C16H14F2N3NaO4S

>  <MolWeight> (1,308)
405.3516364

>  <Item Name> (1,308)
Pantoprazole sodium

>  <Catalog Number> (1,308)
S4538

>  <Synonyms> (1,308)
SKF96022 sodium, BY-1023 sodium

>  <Target> (1,308)
Proton Pump

>  <Form> (1,308)
Free Base

>  <URL> (1,308)
http://www.selleckchem.com/products/pantoprazole-sodium.html

>  <CAS Number> (1,308)
138786-67-1

$$$$
Salicylic acid.cdx
csChFnd80/07171813022D

 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
  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
M  END
>  <Mol_ID> (1,309)
2781

>  <Formula> (1,309)
C7H6O3

>  <MolWeight> (1,309)
138.12074

>  <Item Name> (1,309)
Salicylic acid

>  <Catalog Number> (1,309)
S4539

>  <Synonyms> (1,309)
2-Hydroxybenzoic acid

>  <Target> (1,309)
COX

>  <Form> (1,309)
Free Base

>  <URL> (1,309)
http://www.selleckchem.com/products/salicylic-acid.html

>  <CAS Number> (1,309)
69-72-7

$$$$
Methylene Blue.cdx
csChFnd80/07171813022D

 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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0477    3.0335    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 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
 14 17  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,310)
2787

>  <Formula> (1,310)
C16H18ClN3S

>  <MolWeight> (1,310)
319.85222

>  <Item Name> (1,310)
Methylene Blue

>  <Catalog Number> (1,310)
S4535

>  <Synonyms> (1,310)
Basic Blue 9, Tetramethylthionine chloride, methylthioninium chloride, CI-52015

>  <Target> (1,310)
Others

>  <Form> (1,310)
Free Base

>  <URL> (1,310)
http://www.selleckchem.com/products/methylene-blue.html

>  <CAS Number> (1,310)
61-73-4

$$$$
Idramantone.cdx
csChFnd80/07171813022D

 12 14  0  0  0  0  0  0  0  0999 V2000
    1.3305    1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4368    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3305    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    2.1348    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0601    4.1540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8689    2.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    3.4651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    3.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4935    4.1236    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
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,311)
2790

>  <Formula> (1,311)
C10H14O2

>  <MolWeight> (1,311)
166.21696

>  <Item Name> (1,311)
Idramantone

>  <Catalog Number> (1,311)
S4529

>  <Synonyms> (1,311)
Kemantane, 5-Hydroxy-2-adamantanone

>  <Target> (1,311)
Immunology & Inflammation related

>  <Form> (1,311)
Free Base

>  <URL> (1,311)
http://www.selleckchem.com/products/idramantone.html

>  <CAS Number> (1,311)
20098-14-0

$$$$
Eprodisate (disodium).cdx
csChFnd80/07171813022D

 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
  6  9  1  0  0  0  0
  3  6  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
  5 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,312)
2791

>  <Formula> (1,312)
C3H6Na2O6S2

>  <MolWeight> (1,312)
248.18568

>  <Item Name> (1,312)
Eprodisate (disodium)

>  <Catalog Number> (1,312)
S4567

>  <Synonyms> (1,312)
NC-503

>  <Target> (1,312)
Others

>  <Form> (1,312)
disodium salt

>  <URL> (1,312)
http://www.selleckchem.com/products/eprodisate-disodium.html

>  <CAS Number> (1,312)
36589-58-9

$$$$
Carsalam.cdx
csChFnd80/07171813022D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4043    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4043    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    2.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    0.0336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    0.0336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    2.1325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6234    4.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,313)
2799

>  <Formula> (1,313)
C8H5NO3

>  <MolWeight> (1,313)
163.1302

>  <Item Name> (1,313)
Carsalam

>  <Catalog Number> (1,313)
S4555

>  <Synonyms> (1,313)
Carbonylsalicylamide

>  <Target> (1,313)
Antifection

>  <Form> (1,313)
Free Base

>  <URL> (1,313)
http://www.selleckchem.com/products/carsalam.html

>  <CAS Number> (1,313)
2037-95-8

$$$$
S4571 Hexylresorcinol.cdx
csChFnd80/07171813022D

 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> (1,314)
2800

>  <Formula> (1,314)
C12H18O2

>  <MolWeight> (1,314)
194.27012

>  <Item Name> (1,314)
Hexylresorcinol

>  <Catalog Number> (1,314)
S4571

>  <Synonyms> (1,314)
4-Hexylresorcinol

>  <Target> (1,314)
Tyrosinase

>  <Form> (1,314)
Free Base

>  <URL> (1,314)
http://www.selleckchem.com/products/hexylresorcinol.html

>  <CAS Number> (1,314)
136-77-6

$$$$
S4569 Fluphenazine (dihydrochloride).cdx
csChFnd80/07171813022D

 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> (1,315)
2801

>  <Formula> (1,315)
C22H28Cl2F3N3OS

>  <MolWeight> (1,315)
510.4434296

>  <Item Name> (1,315)
Fluphenazine (dihydrochloride)

>  <Catalog Number> (1,315)
S4569

>  <Synonyms> (1,315)
Prolixin

>  <Target> (1,315)
Dopamine Receptor

>  <Form> (1,315)
dihydrochloride

>  <URL> (1,315)
http://www.selleckchem.com/products/fluphenazine-dihydrochloride.html

>  <CAS Number> (1,315)
146-56-5

$$$$
S4566 DL-Panthenol.cdx
csChFnd80/07171813022D

 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> (1,316)
2803

>  <Formula> (1,316)
C9H19NO4

>  <MolWeight> (1,316)
205.25146

>  <Item Name> (1,316)
DL-Panthenol

>  <Catalog Number> (1,316)
S4566

>  <Synonyms> (1,316)
DL-Pantothenol, DL-Pantothenyl alcohol

>  <Target> (1,316)
Others

>  <Form> (1,316)
Free Base

>  <URL> (1,316)
http://www.selleckchem.com/products/dl-panthenol.html

>  <CAS Number> (1,316)
16485-10-2

$$$$
S4565 Diiodohydroxyquinoline.cdx
csChFnd80/07171813022D

 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> (1,317)
2804

>  <Formula> (1,317)
C9H5I2NO

>  <MolWeight> (1,317)
396.95104

>  <Item Name> (1,317)
Diiodohydroxyquinoline

>  <Catalog Number> (1,317)
S4565

>  <Synonyms> (1,317)
Iodoquinol

>  <Target> (1,317)
Antifection

>  <Form> (1,317)
Free Base

>  <URL> (1,317)
http://www.selleckchem.com/products/diiodohydroxyquinoline.html

>  <CAS Number> (1,317)
83-73-8

$$$$
S4559 Cloxiquine.cdx
csChFnd80/07171813022D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  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
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,318)
2805

>  <Formula> (1,318)
C9H6ClNO

>  <MolWeight> (1,318)
179.60304

>  <Item Name> (1,318)
Cloxiquine

>  <Catalog Number> (1,318)
S4559

>  <Synonyms> (1,318)
5-Chloro-8-quinolinol, Dermofungin|

>  <Target> (1,318)
Antifection

>  <Form> (1,318)
Free Base

>  <URL> (1,318)
http://www.selleckchem.com/products/cloxiquine.html

>  <CAS Number> (1,318)
130-16-5

$$$$
S4558 Citiolone.cdx
csChFnd80/07171813022D

 10 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.8062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1446    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.8394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129    2.1644    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4131    2.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6191    3.3090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6027    0.4264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0134    3.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196    4.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6016    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  1  0  0  0  0
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  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,319)
2806

>  <Formula> (1,319)
C6H9NO2S

>  <MolWeight> (1,319)
159.20616

>  <Item Name> (1,319)
Citiolone

>  <Catalog Number> (1,319)
S4558

>  <Synonyms> (1,319)
N/A

>  <Target> (1,319)
Others

>  <Form> (1,319)
Free Base

>  <URL> (1,319)
http://www.selleckchem.com/products/citiolone.html

>  <CAS Number> (1,319)
1195-16-0

$$$$
S4556 Carzenide.cdx
csChFnd80/07171813022D

 13 13  0  0  0  0  0  0  0  0999 V2000
    1.4038    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1944    3.5154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109    3.4924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    1.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979    4.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4038    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    5.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    7.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    7.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    7.6977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,320)
2807

>  <Formula> (1,320)
C7H7NO4S

>  <MolWeight> (1,320)
201.19978

>  <Item Name> (1,320)
Carzenide

>  <Catalog Number> (1,320)
S4556

>  <Synonyms> (1,320)
4-Sulfamoylbenzoic acid

>  <Target> (1,320)
Others

>  <Form> (1,320)
Free Base

>  <URL> (1,320)
http://www.selleckchem.com/products/carzenide.html

>  <CAS Number> (1,320)
138-41-0

$$$$
S4553 Bronopol.cdx
csChFnd80/07171813022D

  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> (1,321)
2808

>  <Formula> (1,321)
C3H6BrNO4

>  <MolWeight> (1,321)
199.98804

>  <Item Name> (1,321)
Bronopol

>  <Catalog Number> (1,321)
S4553

>  <Synonyms> (1,321)
N/A

>  <Target> (1,321)
Antifection

>  <Form> (1,321)
Free Base

>  <URL> (1,321)
http://www.selleckchem.com/products/bronopol.html

>  <CAS Number> (1,321)
52-51-7

$$$$
S4549 Antimonyl (potassium tartrate trihydrate).cdx
csChFnd80/07171813022D

 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
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    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
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   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
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 17 20  1  0  0  0  0
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 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,322)
2809

>  <Formula> (1,322)
C8H10K2O15Sb2

>  <MolWeight> (1,322)
667.8726

>  <Item Name> (1,322)
Antimonyl (potassium tartrate trihydrate)

>  <Catalog Number> (1,322)
S4549

>  <Synonyms> (1,322)
Tartar emetic

>  <Target> (1,322)
Others

>  <Form> (1,322)
Free Base

>  <URL> (1,322)
http://www.selleckchem.com/products/antimonyl-potassium-tartrate-trihydrate.html

>  <CAS Number> (1,322)
28300-74-5

$$$$
S4516 (+)-Camphor.cdx
csChFnd80/07171813022D

 11 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3520    1.6574    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7041    1.2941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    2.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.8686    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3545    4.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1421    4.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7168    5.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2383    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
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  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> (1,323)
2814

>  <Formula> (1,323)
C10H16O

>  <MolWeight> (1,323)
152.23344

>  <Item Name> (1,323)
(+)-Camphor

>  <Catalog Number> (1,323)
S4516

>  <Synonyms> (1,323)
N/A

>  <Target> (1,323)
TRPV

>  <Form> (1,323)
Free Base

>  <URL> (1,323)
http://www.selleckchem.com/products/camphor.html

>  <CAS Number> (1,323)
464-49-3

$$$$
S4594 Cephalothin.cdx
csChFnd80/07171813022D

 27 28  0  0  0  0  0  0  0  0999 V2000
    8.3513    2.8738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    4.2919    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5792    2.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9247    2.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9378    4.2835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5671    4.9696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7366    2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792    0.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9347    1.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9478    5.2734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7416    4.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9490    2.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1623    2.8659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5865    2.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3659    4.3082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1811    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  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
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 24 26  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (1,324)
2815

>  <Formula> (1,324)
C16H15N2NaO6S2

>  <MolWeight> (1,324)
418.41987

>  <Item Name> (1,324)
Cephalothin

>  <Catalog Number> (1,324)
S4594

>  <Synonyms> (1,324)
Cefalotin

>  <Target> (1,324)
Antifection

>  <Form> (1,324)
Free Base

>  <URL> (1,324)
http://www.selleckchem.com/products/cephalothin.html

>  <CAS Number> (1,324)
58-71-9

$$$$
S4593 Chlormadinone acetate.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.5829    6.0647    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2530    5.6262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3672    4.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6204    7.0047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2956    7.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2530    4.2135    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0109    6.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2384    7.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5926    3.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9502    6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3448    8.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702    7.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0304    3.5122    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   11.2425    5.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9926    7.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0498    2.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    3.5024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8709    1.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    2.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4111    4.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,325)
2816

>  <Formula> (1,325)
C23H29ClO4

>  <MolWeight> (1,325)
404.92696

>  <Item Name> (1,325)
Chlormadinone acetate

>  <Catalog Number> (1,325)
S4593

>  <Synonyms> (1,325)
Gestafortin

>  <Target> (1,325)
Estrogen/progestogen

>  <Form> (1,325)
Free Base

>  <URL> (1,325)
http://www.selleckchem.com/products/chlormadinone-acetate.html

>  <CAS Number> (1,325)
302-22-7

$$$$
Tyloxapol.cdx
csChFnd80/07171813022D

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A   61
m
A   62
m
A   63
m
A   64
n
A   65
m=6-8;n<=5
M  END
>  <Mol_ID> (1,326)
2817

>  <Formula> (1,326)
C51H80O6R5

>  <MolWeight> (1,326)
789.1773

>  <Item Name> (1,326)
Tyloxapol

>  <Catalog Number> (1,326)
S4578

>  <Synonyms> (1,326)
Triton WR1339

>  <Target> (1,326)
Others

>  <Form> (1,326)
Free Base

>  <URL> (1,326)
http://www.selleckchem.com/products/tyloxapol.html

>  <CAS Number> (1,326)
25301-02-4

$$$$
Halothane.cdx
csChFnd80/07171813022D

  7  6  0  0  0  0  0  0  0  0999 V2000
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  1  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,327)
2818

>  <Formula> (1,327)
C2HBrClF3

>  <MolWeight> (1,327)
197.3815496

>  <Item Name> (1,327)
Halothane

>  <Catalog Number> (1,327)
S4570

>  <Synonyms> (1,327)
Narcotane

>  <Target> (1,327)
Others

>  <Form> (1,327)
Free Base

>  <URL> (1,327)
http://www.selleckchem.com/products/halothane.html

>  <CAS Number> (1,327)
151-67-7

$$$$
Terpin (hydrate).cdx
csChFnd80/07171813022D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1758    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,328)
2819

>  <Formula> (1,328)
C10H22O3

>  <MolWeight> (1,328)
190.27988

>  <Item Name> (1,328)
Terpin (hydrate)

>  <Catalog Number> (1,328)
S4577

>  <Synonyms> (1,328)
N/A

>  <Target> (1,328)
Others

>  <Form> (1,328)
hydrate

>  <URL> (1,328)
http://www.selleckchem.com/products/terpin-hydrate.html

>  <CAS Number> (1,328)
2451-01-6

$$$$
Triacetin.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,329)
2820

>  <Formula> (1,329)
C9H14O6

>  <MolWeight> (1,329)
218.20386

>  <Item Name> (1,329)
Triacetin

>  <Catalog Number> (1,329)
S4581

>  <Synonyms> (1,329)
	Glycerol triacetate, Glyceryl triacetate, Glycerin triacetate, 1,2,3-Triacetoxypropane

>  <Target> (1,329)
Others

>  <Form> (1,329)
Free Base

>  <URL> (1,329)
http://www.selleckchem.com/products/triacetin.html

>  <CAS Number> (1,329)
102-76-1

$$$$
Xylitol.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,330)
2821

>  <Formula> (1,330)
C5H12O5

>  <MolWeight> (1,330)
152.14578

>  <Item Name> (1,330)
Xylitol

>  <Catalog Number> (1,330)
S4546

>  <Synonyms> (1,330)
Adonitol, Ribitol, Xylite, D-Xylitol, Adonite

>  <Target> (1,330)
Others

>  <Form> (1,330)
Free Base

>  <URL> (1,330)
http://www.selleckchem.com/products/xylitol.html

>  <CAS Number> (1,330)
87-99-0

$$$$
Urethane.cdx
csChFnd80/07171813022D

  6  5  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (1,331)
2822

>  <Formula> (1,331)
C3H7NO2

>  <MolWeight> (1,331)
89.09318

>  <Item Name> (1,331)
Urethane

>  <Catalog Number> (1,331)
S4544

>  <Synonyms> (1,331)
Carbamic acid ethyl ester, Ethyl carbamate, Ethylurethane

>  <Target> (1,331)
Others

>  <Form> (1,331)
Free Base

>  <URL> (1,331)
http://www.selleckchem.com/products/urethane.html

>  <CAS Number> (1,331)
51-79-6

$$$$
S4600 Benzyl alcohol.cdx
csChFnd80/07171813022D

  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
    0.0040    2.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4236    4.8846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  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
M  END
>  <Mol_ID> (1,332)
2827

>  <Formula> (1,332)
C7H8O

>  <MolWeight> (1,332)
108.13782

>  <Item Name> (1,332)
Benzyl alcohol

>  <Catalog Number> (1,332)
S4600

>  <Synonyms> (1,332)
Phenylmethanol, Benzenemethanol, Phenylcarbinol, Benzoyl alcohol

>  <Target> (1,332)
Others

>  <Form> (1,332)
Free Base

>  <URL> (1,332)
http://www.selleckchem.com/products/benzyl-alcohol.html

>  <CAS Number> (1,332)
100-51-6

$$$$
S4599 Benzyl benzoate.cdx
csChFnd80/07171813022D

 16 17  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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 11 13  1  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
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,333)
2828

>  <Formula> (1,333)
C14H12O2

>  <MolWeight> (1,333)
212.24388

>  <Item Name> (1,333)
Benzyl benzoate

>  <Catalog Number> (1,333)
S4599

>  <Synonyms> (1,333)
Ascabiol, Novoscabin, Scabitox, Benzoic acid benzyl ester

>  <Target> (1,333)
Others

>  <Form> (1,333)
Free Base

>  <URL> (1,333)
http://www.selleckchem.com/products/benzyl-benzoate.html

>  <CAS Number> (1,333)
120-51-4

$$$$
S4597 Lercanidipine (hydrochloride).cdx
csChFnd80/07171813022D

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.6428    5.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6428    6.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    7.2724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0636    6.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8486    4.4701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4272    8.6642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    6.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    7.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2817    8.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5012    6.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    8.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    9.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   10.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617   11.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0609    9.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138   11.4570    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4138   12.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1870   10.7487    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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   10.4112    6.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8112    6.0620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5112    7.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6112    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9112    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6112    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0113    3.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7113    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1112    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7112    4.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2950    1.4355    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
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M  END
>  <Mol_ID> (1,334)
2829

>  <Formula> (1,334)
C36H42ClN3O6

>  <MolWeight> (1,334)
648.18818

>  <Item Name> (1,334)
Lercanidipine (hydrochloride)

>  <Catalog Number> (1,334)
S4597

>  <Synonyms> (1,334)
Zanidip (hydrochloride), Masnidipine (hydrochloride)

>  <Target> (1,334)
Calcium Channel

>  <Form> (1,334)
hydrochloride

>  <URL> (1,334)
http://www.selleckchem.com/products/lercanidipine-hydrochloride.html

>  <CAS Number> (1,334)
132866-11-6

$$$$
S4596 Cefixime.cdx
csChFnd80/07171813022D

 31 33  0  0  0  0  0  0  0  0999 V2000
    9.6620    2.8119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6698    4.2109    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8680    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2673    2.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2687    4.2187    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8919    4.9017    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.0893    2.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8680    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0985    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0775    0.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,335)
2830

>  <Formula> (1,335)
C16H15N5O7S2

>  <MolWeight> (1,335)
453.4496

>  <Item Name> (1,335)
Cefixime

>  <Catalog Number> (1,335)
S4596

>  <Synonyms> (1,335)
Cefixima, Cefiximum, Cephoral, Cefspan, FR-17027, FK-027, CL-284635

>  <Target> (1,335)
Antifection

>  <Form> (1,335)
Free Base

>  <URL> (1,335)
http://www.selleckchem.com/products/cefixime.html

>  <CAS Number> (1,335)
79350-37-1

$$$$
S4595 Cefazolin (sodium).cdx
csChFnd80/07171813022D

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   13.3643    1.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8310    3.4357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3760    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7169    0.8640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319    3.5420    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774    5.5135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2103    2.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8284    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3986    4.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0949    5.8032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5878    2.1305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9976    0.7902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9585    6.2429    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  2  6  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
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 20 23  1  0  0  0  0
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 25 29  1  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,336)
2831

>  <Formula> (1,336)
C14H13N8NaO4S3

>  <MolWeight> (1,336)
476.48899

>  <Item Name> (1,336)
Cefazolin Sodium

>  <Catalog Number> (1,336)
S4595

>  <Synonyms> (1,336)
cefazoline sodium, cephazolin sodium, Ancef

>  <Target> (1,336)
Antifection

>  <Form> (1,336)
Sodium Salt

>  <URL> (1,336)
http://www.selleckchem.com/products/cefazolin-sodium.html

>  <CAS Number> (1,336)
27164-46-1

$$$$
S4591 Nitroxoline.cdx
csChFnd80/07171813022D

 14 15  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,337)
2832

>  <Formula> (1,337)
C9H6N2O3

>  <MolWeight> (1,337)
190.15554

>  <Item Name> (1,337)
Nitroxoline

>  <Catalog Number> (1,337)
S4591

>  <Synonyms> (1,337)
8-Hydroxy-5-nitroquinoline, 5-nitroquinolin-8-ol, 5-Nitro-8-quinolinol|5-Nitro-8-hydroxyquinoline

>  <Target> (1,337)
Topoisomerase

>  <Form> (1,337)
Free Base

>  <URL> (1,337)
http://www.selleckchem.com/products/nitroxoline.html

>  <CAS Number> (1,337)
4008-48-4

$$$$
S4585 Succinylsulfathiazole.cdx
csChFnd80/07171813022D

 23 24  0  0  0  0  0  0  0  0999 V2000
    7.6711    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3711    8.5190    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2884    7.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0711    9.7314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5746    7.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    9.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6129    6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7025    4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4621    9.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3015    4.8488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3006   10.8813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845    8.6138    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6015    3.6364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6464   10.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338    9.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    4.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,338)
2835

>  <Formula> (1,338)
C13H13N3O5S2

>  <MolWeight> (1,338)
355.38942

>  <Item Name> (1,338)
Succinylsulfathiazole

>  <Catalog Number> (1,338)
S4585

>  <Synonyms> (1,338)
Succinylsulphathiazole

>  <Target> (1,338)
Antifection

>  <Form> (1,338)
Free Base

>  <URL> (1,338)
http://www.selleckchem.com/products/succinylsulfathiazole.html

>  <CAS Number> (1,338)
116-43-8

$$$$
S4584 Butylparaben.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6474    2.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    2.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299    2.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0673    2.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597    4.2211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818    2.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4929    2.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7057    2.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9177    2.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  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
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,339)
2836

>  <Formula> (1,339)
C11H14O3

>  <MolWeight> (1,339)
194.22706

>  <Item Name> (1,339)
Butylparaben

>  <Catalog Number> (1,339)
S4584

>  <Synonyms> (1,339)
Butyl parahydroxybenzoate, Butyl paraben, Butyl 4-hydroxybenzoate

>  <Target> (1,339)
Antifection

>  <Form> (1,339)
Free Base

>  <URL> (1,339)
http://www.selleckchem.com/products/butylparaben.html

>  <CAS Number> (1,339)
94-26-8

$$$$
S4583 Butamben.cdx
csChFnd80/07171813022D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,340)
2837

>  <Formula> (1,340)
C11H15NO2

>  <MolWeight> (1,340)
193.2423

>  <Item Name> (1,340)
Butamben

>  <Catalog Number> (1,340)
S4583

>  <Synonyms> (1,340)
Butyl 4-aminobenzoate

>  <Target> (1,340)
Others

>  <Form> (1,340)
Free Base

>  <URL> (1,340)
http://www.selleckchem.com/products/butamben.html

>  <CAS Number> (1,340)
94-25-7

$$$$
S4580 Hydroquinone.cdx
csChFnd80/07171813022D

  8  8  0  0  0  0  0  0  0  0999 V2000
    1.2042    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880    5.5996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    2.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0162    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2367    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2529    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (1,341)
2838

>  <Formula> (1,341)
C6H6O2

>  <MolWeight> (1,341)
110.11064

>  <Item Name> (1,341)
Hydroquinone

>  <Catalog Number> (1,341)
S4580

>  <Synonyms> (1,341)
Quinol, 1,4-Benzenediol, 1,4-Dihydroxybenzene, HQ

>  <Target> (1,341)
ROS

>  <Form> (1,341)
Free Base

>  <URL> (1,341)
http://www.selleckchem.com/products/hydroquinone.html

>  <CAS Number> (1,341)
123-31-9

$$$$
S4576 Sulfabenzamide.cdx
csChFnd80/07171813022D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6356    2.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8474    2.8040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    3.5037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5472    1.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1479    4.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4219    0.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    2.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    3.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2712    1.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4829    4.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    3.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7065    5.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    4.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,342)
2839

>  <Formula> (1,342)
C13H12N2O3S

>  <MolWeight> (1,342)
276.31098

>  <Item Name> (1,342)
Sulfabenzamide

>  <Catalog Number> (1,342)
S4576

>  <Synonyms> (1,342)
Sultrin, N-Sulfanilylbenzamide

>  <Target> (1,342)
Antifection

>  <Form> (1,342)
Free Base

>  <URL> (1,342)
http://www.selleckchem.com/products/sulfabenzamide.html

>  <CAS Number> (1,342)
127-71-9

$$$$
S4575 Pralidoxime (chloride).cdx
csChFnd80/07171813022D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4173    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    1.3798    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4173    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143    2.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5648    3.6536    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,343)
2840

>  <Formula> (1,343)
C7H9ClN2O

>  <MolWeight> (1,343)
172.61216

>  <Item Name> (1,343)
Pralidoxime (chloride)

>  <Catalog Number> (1,343)
S4575

>  <Synonyms> (1,343)
2-PAM (chloride)

>  <Target> (1,343)
AChR

>  <Form> (1,343)
Free Base

>  <URL> (1,343)
http://www.selleckchem.com/products/pralidoxime-chloride.html

>  <CAS Number> (1,343)
51-15-0

$$$$
Cefuroxime sodium.cdx
csChFnd80/07171813022D

 31 32  0  0  0  0  0  0  0  0999 V2000
    7.2743    6.0652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    6.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8493    4.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0626    3.9651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    4.6654    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6742    4.6654    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6738    6.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619    8.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8391    8.8662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    8.8543    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6713    7.0627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6591    3.6805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0188    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3812    5.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0088    3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6464    1.7146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2941    1.3523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9318    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491    2.5482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3611    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    4.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2627    4.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6230    3.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469    6.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    6.7482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    8.1445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6607    8.8879    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.6472    3.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  1  0  0  0
  8 12  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
  6 31  1  6  0  0  0
M  END
>  <Mol_ID> (1,344)
2841

>  <Formula> (1,344)
C16H15N4NaO8S

>  <MolWeight> (1,344)
446.36707

>  <Item Name> (1,344)
Cefuroxime sodium

>  <Catalog Number> (1,344)
S4620

>  <Synonyms> (1,344)
N/A

>  <Target> (1,344)
Antifection

>  <Form> (1,344)
Sodium Salt

>  <URL> (1,344)
http://www.selleckchem.com/products/cefuroxime-sodium.html

>  <CAS Number> (1,344)
56238-63-2

$$$$
S4619 Itopride hydrochloride.cdx
csChFnd80/07171813022D

 27 27  0  0  0  0  0  0  0  0999 V2000
    4.8175    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    2.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2430    2.1226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0050    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4726    2.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1705    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0674    2.1394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6939    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9236    0.0423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1362    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3912    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6210    0.6991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8505    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    0.6991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2929    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0803    2.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5753    3.1559    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,345)
2842

>  <Formula> (1,345)
C20H27ClN2O4

>  <MolWeight> (1,345)
394.89238

>  <Item Name> (1,345)
Itopride hydrochloride

>  <Catalog Number> (1,345)
S4619

>  <Synonyms> (1,345)
Ganaton, HSR803

>  <Target> (1,345)
AChR

>  <Form> (1,345)
hydrochloride

>  <URL> (1,345)
http://www.selleckchem.com/products/itopride-hydrochloride.html

>  <CAS Number> (1,345)
122892-31-3

$$$$
S4574 Piperazine.cdx
csChFnd80/07171813022D

  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
    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 N   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  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  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,346)
2843

>  <Formula> (1,346)
C4H10N2

>  <MolWeight> (1,346)
86.1356

>  <Item Name> (1,346)
Piperazine

>  <Catalog Number> (1,346)
S4574

>  <Synonyms> (1,346)
1,4-Diazacyclohexane, Diethylenediamine, exahydropyrazine, Piperazidine

>  <Target> (1,346)
GABA Receptor

>  <Form> (1,346)
Free Base

>  <URL> (1,346)
http://www.selleckchem.com/products/piperazine.html

>  <CAS Number> (1,346)
110-85-0

$$$$
Sisomicin sulfate.cdx
csChFnd80/07171813022D

 87 86  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124   10.0884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.2124   11.4884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.1884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.3884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    7.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0622    7.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    9.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   10.0884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622   11.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.2884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.2884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.9884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    9.3884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119   10.0884    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119   11.4884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    7.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.0884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4832    9.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4832    8.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6956    7.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9080    8.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9080    9.6141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.6956   10.3141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.1205   10.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6956   11.7141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6956    6.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9080    5.4141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3329    9.6141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.3329    8.2141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5454    7.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7578    8.2141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.7578    9.6141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5454   10.3141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.5454   11.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   24.9702    7.5141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9702   10.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1827    9.6141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.1827    8.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3951    7.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6075    8.2141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.6075    9.6141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.3951   10.3141    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.3951   11.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.6075    6.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0075    8.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8200   10.3141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.0324    9.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,347)
2844

>  <Formula> (1,347)
C38H84N10O34S5

>  <MolWeight> (1,347)
1385.44516

>  <Item Name> (1,347)
Sisomicin sulfate

>  <Catalog Number> (1,347)
S4540

>  <Synonyms> (1,347)
N/A

>  <Target> (1,347)
Antifection

>  <Form> (1,347)
2.5Sulfate

>  <URL> (1,347)
http://www.selleckchem.com/products/sisomicin-sulfate.html

>  <CAS Number> (1,347)
53179-09-2

$$$$
S4589 Amodiaquin (dihydrochloride dihydrate).cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,348)
2845

>  <Formula> (1,348)
C20H28Cl3N3O3

>  <MolWeight> (1,348)
464.81362

>  <Item Name> (1,348)
Amodiaquin (dihydrochloride dihydrate)

>  <Catalog Number> (1,348)
S4589

>  <Synonyms> (1,348)
N/A

>  <Target> (1,348)
Transferase,Histone

>  <Form> (1,348)
dihydrochloride dihydrate

>  <URL> (1,348)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

>  <CAS Number> (1,348)
6398-98-7

$$$$
S4625 Alcaftadine.cdx
csChFnd80/07171813022D

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 13  5  1  0  0  0  0
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M  END
>  <Mol_ID> (1,349)
2848

>  <Formula> (1,349)
C19H21N3O

>  <MolWeight> (1,349)
307.38954

>  <Item Name> (1,349)
Alcaftadine

>  <Catalog Number> (1,349)
S4625

>  <Synonyms> (1,349)
Lastacaft, R89674, R 89674, R-89674

>  <Target> (1,349)
Histamine Receptor

>  <Form> (1,349)
Free Base

>  <URL> (1,349)
http://www.selleckchem.com/products/alcaftadine.html

>  <CAS Number> (1,349)
147084-10-4

$$$$
S4632 Hexachlorophene.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,350)
2849

>  <Formula> (1,350)
C13H6Cl6O2

>  <MolWeight> (1,350)
406.90354

>  <Item Name> (1,350)
Hexachlorophene

>  <Catalog Number> (1,350)
S4632

>  <Synonyms> (1,350)
Hexachlorofen, Fostril, Nabac, pHisoHex

>  <Target> (1,350)
Potassium Channel

>  <Form> (1,350)
Free Base

>  <URL> (1,350)
http://www.selleckchem.com/products/hexachlorophene.html

>  <CAS Number> (1,350)
70-30-4

$$$$
S4630 Diazoxide.cdx
csChFnd80/07171813022D

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  5 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (1,351)
2850

>  <Formula> (1,351)
C8H7ClN2O2S

>  <MolWeight> (1,351)
230.67138

>  <Item Name> (1,351)
Diazoxide

>  <Catalog Number> (1,351)
S4630

>  <Synonyms> (1,351)
Sch-6783, SRG-95213, Proglycem

>  <Target> (1,351)
Potassium Channel

>  <Form> (1,351)
Free Base

>  <URL> (1,351)
http://www.selleckchem.com/products/diazoxide.html

>  <CAS Number> (1,351)
364-98-7

$$$$
S4629 Chlorotrianisene.cdx
csChFnd80/07171813022D

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 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,352)
2851

>  <Formula> (1,352)
C23H21ClO3

>  <MolWeight> (1,352)
380.86404

>  <Item Name> (1,352)
Chlorotrianisene

>  <Catalog Number> (1,352)
S4629

>  <Synonyms> (1,352)
tri-p-anisylchloroethylene, tris(p-methoxyphenyl)chloroethylene, TACE, CTA

>  <Target> (1,352)
Estrogen/progestogen Receptor

>  <Form> (1,352)
Free Base

>  <URL> (1,352)
http://www.selleckchem.com/products/chlorotrianisene.html

>  <CAS Number> (1,352)
569-57-3

$$$$
S4628 (+-)-Sulfinpyrazone.cdx
csChFnd80/07171813022D

 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
    8.5812    6.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4993    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4981    4.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4545    6.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7823    4.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3050    5.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8305    7.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8936    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7201    1.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    3.0467    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  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
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 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,353)
2852

>  <Formula> (1,353)
C23H20N2O3S

>  <MolWeight> (1,353)
404.4815

>  <Item Name> (1,353)
(+/-)-Sulfinpyrazone

>  <Catalog Number> (1,353)
S4628

>  <Synonyms> (1,353)
G-28315, NSC 75925

>  <Target> (1,353)
COX

>  <Form> (1,353)
Free Base

>  <URL> (1,353)
http://www.selleckchem.com/products/sulfinpyrazone.html

>  <CAS Number> (1,353)
57-96-5

$$$$
S4626 ETHOSUXIMIDE.cdx
csChFnd80/07171813022D

 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
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    5.0022    0.4327    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
  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> (1,354)
2853

>  <Formula> (1,354)
C7H11NO2

>  <MolWeight> (1,354)
141.16774

>  <Item Name> (1,354)
Ethosuximide

>  <Catalog Number> (1,354)
S4626

>  <Synonyms> (1,354)
N/A

>  <Target> (1,354)
Calcium Channel

>  <Form> (1,354)
Free Base

>  <URL> (1,354)
http://www.selleckchem.com/products/ethosuximide.html

>  <CAS Number> (1,354)
77-67-8

$$$$
S4618 Fenoldopam (mesylate).cdx
csChFnd80/07171813022D

 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
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    1.2221    7.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,355)
2854

>  <Formula> (1,355)
C17H20ClNO6S

>  <MolWeight> (1,355)
401.8618

>  <Item Name> (1,355)
Fenoldopam (mesylate)

>  <Catalog Number> (1,355)
S4618

>  <Synonyms> (1,355)
SKF 82526 (mesylate), Fenoldopam methanesulfonate, Corlopam mesylate

>  <Target> (1,355)
Dopamine Receptor

>  <Form> (1,355)
mesylate

>  <URL> (1,355)
http://www.selleckchem.com/products/fenoldopam-mesylate.html

>  <CAS Number> (1,355)
67227-57-0

$$$$
S4617 Dextromethorphan hydrobromide hydrate.cdx
csChFnd80/07171813022D

 23 24  0  0  0  0  0  0  0  0999 V2000
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    3.5000    5.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    6.2236    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 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> (1,356)
2855

>  <Formula> (1,356)
C18H28BrNO2

>  <MolWeight> (1,356)
370.32442

>  <Item Name> (1,356)
Dextromethorphan (hydrobromide hydrate)

>  <Catalog Number> (1,356)
S4617

>  <Synonyms> (1,356)
Dextromethorphan hydrobromide monohydrate

>  <Target> (1,356)
AChR

>  <Form> (1,356)
hydrobromide

>  <URL> (1,356)
http://www.selleckchem.com/products/dextromethorphan-hydrobromide-hydrate.html

>  <CAS Number> (1,356)
6700-34-1

$$$$
S4582 Eflornithine  hydrochloride  hydrate.cdx
csChFnd80/07171813022D

 14 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2794    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    3.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    5.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    3.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    6.7043    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0256    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6923    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
  1  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
  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> (1,357)
2859

>  <Formula> (1,357)
C6H15ClF2N2O3

>  <MolWeight> (1,357)
236.6447064

>  <Item Name> (1,357)
Eflornithine hydrochloride hydrate

>  <Catalog Number> (1,357)
S4582

>  <Synonyms> (1,357)
Difluoromethylornithine hydrochloride hydrate

>  <Target> (1,357)
Decarboxylase

>  <Form> (1,357)
hydrochloride hydrate

>  <URL> (1,357)
http://www.selleckchem.com/products/eflornithine-hydrochloride-hydrate.html

>  <CAS Number> (1,357)
96020-91-6

$$$$
S4639 Brexpiprazole.cdx
csChFnd80/07171813022D

 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
   16.7960    2.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7960    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5790    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0034    2.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2205    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0034    4.8977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1545    4.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9471    4.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7300    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3152    4.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4663    0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9571    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  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
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 28 23  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,358)
2860

>  <Formula> (1,358)
C25H27N3O2S

>  <MolWeight> (1,358)
433.56578

>  <Item Name> (1,358)
Brexpiprazole

>  <Catalog Number> (1,358)
S4639

>  <Synonyms> (1,358)
OPC-34712, OPC 34712, OPC34712

>  <Target> (1,358)
Dopamine Receptor

>  <Form> (1,358)
Free Base

>  <URL> (1,358)
http://www.selleckchem.com/products/brexpiprazole.html

>  <CAS Number> (1,358)
913611-97-9

$$$$
S4640 Lesinurad.cdx
csChFnd80/07171813022D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.2704    7.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9182    8.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2604    8.8203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6328    6.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9282    7.2027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    8.9668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    8.9668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    7.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    6.8124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6765    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
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  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
 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 20  1  0  0  0  0
 11 20  2  0  0  0  0
 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 23  1  0  0  0  0
 14 21  1  0  0  0  0
  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> (1,359)
2862

>  <Formula> (1,359)
C17H14BrN3O2S

>  <MolWeight> (1,359)
404.28096

>  <Item Name> (1,359)
Lesinurad

>  <Catalog Number> (1,359)
S4640

>  <Synonyms> (1,359)
RDEA 594, RDEA-594, RDEA594

>  <Target> (1,359)
Others

>  <Form> (1,359)
Free Base

>  <URL> (1,359)
http://www.selleckchem.com/products/lesinurad.html

>  <CAS Number> (1,359)
878672-00-5

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/07171813022D

 24 25  0  0  0  0  0  0  0  0999 V2000
    3.9188    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1983    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393    6.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7064    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
  1  3  1  0  0  0  0
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  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
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  8 16  1  0  0  0  0
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 15 20  1  0  0  0  0
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 17 21  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (1,360)
2863

>  <Formula> (1,360)
C21H22ClNR

>  <MolWeight> (1,360)
323.85908

>  <Item Name> (1,360)
Cyproheptadine hydrochloride

>  <Catalog Number> (1,360)
S4635

>  <Synonyms> (1,360)
Periactin hydrochloride, Peritol

>  <Target> (1,360)
5-HT Receptor

>  <Form> (1,360)
Hydrochloride Sesquihydrate

>  <URL> (1,360)
http://www.selleckchem.com/products/cyproheptadine-hydrochloride.html

>  <CAS Number> (1,360)
41354-29-4

$$$$
S4612 Dapson.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.5931    1.4001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1930    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9931    1.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5931    2.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4935    0.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990    2.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6867    2.6531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6949    0.2352    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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  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
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  6 10  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,361)
2864

>  <Formula> (1,361)
C12H12N2O2S

>  <MolWeight> (1,361)
248.30088

>  <Item Name> (1,361)
Dapson

>  <Catalog Number> (1,361)
S4612

>  <Synonyms> (1,361)
Dapsone, 4,4¡ä-Diaminodiphenyl sulfone, 4,4¡ä-Sulfonyldianiline, 4-Aminophenyl sulfone, Bis sulfone, 

>  <Target> (1,361)
Antifection

>  <Form> (1,361)
Free Base

>  <URL> (1,361)
http://www.selleckchem.com/products/dapson.html

>  <CAS Number> (1,361)
80-08-0

$$$$
S4610 Mebendazole.cdx
csChFnd80/07171813022D

 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
    7.2453    0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5933    2.5145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5754    0.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0401    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8716    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    1.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8170    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    2.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8104    1.3697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    4.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5093    2.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045    2.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9104    2.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    3.7918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2131    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    3.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
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 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
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 16 20  2  0  0  0  0
 17 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,362)
2865

>  <Formula> (1,362)
C16H13N3O3

>  <MolWeight> (1,362)
295.29272

>  <Item Name> (1,362)
Mebendazole

>  <Catalog Number> (1,362)
S4610

>  <Synonyms> (1,362)
Vermox, Telmin, Pantelmin, Mebenvet

>  <Target> (1,362)
Antifection

>  <Form> (1,362)
Free Base

>  <URL> (1,362)
http://www.selleckchem.com/products/mebendazole.html

>  <CAS Number> (1,362)
31431-39-7

$$$$
S4605 Folic acid.cdx
csChFnd80/07171813022D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.9000    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
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  8 10  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 24 22  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
M  END
>  <Mol_ID> (1,363)
2866

>  <Formula> (1,363)
C19H19N7O6

>  <MolWeight> (1,363)
441.39746

>  <Item Name> (1,363)
Folic acid

>  <Catalog Number> (1,363)
S4605

>  <Synonyms> (1,363)
Folacin, Vitamin B9, Vitamin M, Pteroylglutamic acid, Folate

>  <Target> (1,363)
Vitamin

>  <Form> (1,363)
Free Base

>  <URL> (1,363)
http://www.selleckchem.com/products/folic-acid.html

>  <CAS Number> (1,363)
59-30-3

$$$$
S4604 Levofloxacin hydrate.cdx
csChFnd80/07171813022D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    7.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    7.1805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    8.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2000    9.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    7.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    5.9680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    4.7556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    2.3307    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    3.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.7556    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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  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
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  5 25  1  0  0  0  0
 10 25  2  0  0  0  0
  2 26  1  0  0  0  0
A   27
0.5H2O
M  END
>  <Mol_ID> (1,364)
2867

>  <Formula> (1,364)
C18H20FN3O4R

>  <MolWeight> (1,364)
361.3675032

>  <Item Name> (1,364)
Levofloxacin hydrate

>  <Catalog Number> (1,364)
S4604

>  <Synonyms> (1,364)
Levofloxacin hemihydrate, Levaquin hydrate, Tavanic hydrate, Quixin hydrate, Iquix hydrate, 

>  <Target> (1,364)
Topoisomerase

>  <Form> (1,364)
hydrate

>  <URL> (1,364)
http://www.selleckchem.com/products/levofloxacin-hydrate.html

>  <CAS Number> (1,364)
138199-71-0

$$$$
S4603 Gallic acid.cdx
csChFnd80/07171813022D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
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  3  6  2  0  0  0  0
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  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  9  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,365)
2868

>  <Formula> (1,365)
C7H6O5

>  <MolWeight> (1,365)
170.11954

>  <Item Name> (1,365)
Gallic acid

>  <Catalog Number> (1,365)
S4603

>  <Synonyms> (1,365)
3,4,5-Trihydroxybenzoic acid, Gallate, Benzoic acid

>  <Target> (1,365)
ROS

>  <Form> (1,365)
Free Base

>  <URL> (1,365)
http://www.selleckchem.com/products/gallic-acid.html

>  <CAS Number> (1,365)
149-91-7

$$$$
S4609 Diflunisal.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.9000    0.0000 F   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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  3  7  1  0  0  0  0
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M  END
>  <Mol_ID> (1,366)
2869

>  <Formula> (1,366)
C13H8F2O3

>  <MolWeight> (1,366)
250.1976264

>  <Item Name> (1,366)
Diflunisal

>  <Catalog Number> (1,366)
S4609

>  <Synonyms> (1,366)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (1,366)
COX

>  <Form> (1,366)
Free Base

>  <URL> (1,366)
http://www.selleckchem.com/products/diflunisal.html

>  <CAS Number> (1,366)
22494-42-4

$$$$
S4638 Desogestrel.cdx
csChFnd80/07171813022D

 27 30  0  0  0  0  0  0  0  0999 V2000
    6.0611    4.1866    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0611    2.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4034    4.5918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7964    4.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    5.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8415    2.1117    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4034    2.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768    3.4990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    5.9587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    4.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    6.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    2.8075    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8415    0.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3163    4.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4433    2.1117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6219    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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Desogestrel

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Cerazette, Desogen, Desogestrelum, Org-2969

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Estrogen/progestogen Receptor

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Free Base

>  <URL> (1,367)
http://www.selleckchem.com/products/desogestrel.html

>  <CAS Number> (1,367)
54024-22-5

$$$$
Olmutinib (HM61713, BI 1482694).cdx
csChFnd80/07171813022D

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2873

>  <Formula> (1,368)
C26H26N6O2S

>  <MolWeight> (1,368)
486.58864

>  <Item Name> (1,368)
Olmutinib (HM61713, BI 1482694)

>  <Catalog Number> (1,368)
S8294

>  <Synonyms> (1,368)
BI 1482694, HM61713, HM71224

>  <Target> (1,368)
EGFR

>  <Form> (1,368)
Free Base

>  <URL> (1,368)
http://www.selleckchem.com/products/olmutinib-hm61713-bi-1482694.html

>  <CAS Number> (1,368)
1353550-13-6

$$$$
S4633 Isosorbide Mononitrate.cdx
csChFnd80/07171813022D

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2874

>  <Formula> (1,369)
C6H9NO6

>  <MolWeight> (1,369)
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Isosorbide Mononitrate

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S4633

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Isosorbide-5-mononitrate, Elantan, Monoket, Mononit, Imdur, Corangin

>  <Target> (1,369)
Others

>  <Form> (1,369)
Free Base

>  <URL> (1,369)
http://www.selleckchem.com/products/isosorbide-mononitrate.html

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16051-77-7

$$$$
S4656 Parecoxib.cdx
csChFnd80/07171813022D

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2875

>  <Formula> (1,370)
C19H18N2O4S

>  <MolWeight> (1,370)
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>  <Item Name> (1,370)
Parecoxib

>  <Catalog Number> (1,370)
S4656

>  <Synonyms> (1,370)
SC-69124, Valus-P, Vorth-P

>  <Target> (1,370)
COX

>  <Form> (1,370)
Free Base

>  <URL> (1,370)
http://www.selleckchem.com/products/parecoxib.html

>  <CAS Number> (1,370)
198470-84-7

$$$$
S4653 L-Ornithine.cdx
csChFnd80/07171813022D

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>  <Formula> (1,371)
C5H12N2O2

>  <MolWeight> (1,371)
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L-Ornithine

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S4653

>  <Synonyms> (1,371)
(S)-2,5-Diaminopentanoic acid

>  <Target> (1,371)
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Free Base

>  <URL> (1,371)
http://www.selleckchem.com/products/l-ornithine.html

>  <CAS Number> (1,371)
70-26-8

$$$$
S4652 Sulisobenzone.cdx
csChFnd80/07171813022D

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  8 10  2  0  0  0  0
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 13 19  2  0  0  0  0
 14 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,372)
2877

>  <Formula> (1,372)
C14H12O6S

>  <MolWeight> (1,372)
308.30648

>  <Item Name> (1,372)
Sulisobenzone

>  <Catalog Number> (1,372)
S4652

>  <Synonyms> (1,372)
Benzophenone-4, Sungard

>  <Target> (1,372)
Others

>  <Form> (1,372)
Free Base

>  <URL> (1,372)
http://www.selleckchem.com/products/sulisobenzone.html

>  <CAS Number> (1,372)
4065-45-6

$$$$
S4647 Cefmenoxime hydrochloride.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,373)
2878

>  <Formula> (1,373)
C32H35ClN18O10S6

>  <MolWeight> (1,373)
1059.5779

>  <Item Name> (1,373)
Cefmenoxime hydrochloride

>  <Catalog Number> (1,373)
S4647

>  <Synonyms> (1,373)
Cefmenoxime hemihydrochloride, SCE-1365 hemihydrochloride

>  <Target> (1,373)
Antifection

>  <Form> (1,373)
hydrochloride

>  <URL> (1,373)
http://www.selleckchem.com/products/cefmenoxime-hydrochloride.html

>  <CAS Number> (1,373)
75738-58-8

$$$$
S4588 Docusate (Sodium).cdx
csChFnd80/07171813022D

 29 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  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> (1,374)
2879

>  <Formula> (1,374)
C20H37NaO7S

>  <MolWeight> (1,374)
444.55835

>  <Item Name> (1,374)
Docusate Sodium

>  <Catalog Number> (1,374)
S4588

>  <Synonyms> (1,374)
Aerosol OT, Bis(2-ethylhexyl) sulfosuccinate sodium salt, Constonate

>  <Target> (1,374)
Opioid Receptor

>  <Form> (1,374)
sodium salt

>  <URL> (1,374)
http://www.selleckchem.com/products/docusate-sodium.html

>  <CAS Number> (1,374)
577-11-7

$$$$
FOMEPIZOLE (fomepizole).cdx
csChFnd80/07171813022D

  6  6  0  0  0  0  0  0  0  0999 V2000
    0.8780    2.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5156    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  5  1  1  0  0  0  0
  1  6  1  0  0  0  0
M  END
>  <Mol_ID> (1,375)
2880

>  <Formula> (1,375)
C4H6N2

>  <MolWeight> (1,375)
82.10384

>  <Item Name> (1,375)
Fomepizole (Antizol)

>  <Catalog Number> (1,375)
S1717

>  <Synonyms> (1,375)
4-methylpyrazole, Antizol, Antizol-Vet

>  <Target> (1,375)
5-alpha Reductase

>  <Form> (1,375)
Free Base

>  <URL> (1,375)
http://www.selleckchem.com/products/Fomepizole(Antizol).html

>  <CAS Number> (1,375)
7554-65-6

$$$$
S4657 Eslicarbazepine Acetate.cdx
csChFnd80/07171813022D

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    3.2278    5.2265    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1872    2.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5165    4.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5938    5.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6399    6.4971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16  6  1  0  0  0  0
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 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (1,376)
2881

>  <Formula> (1,376)
C17H16N2O3

>  <MolWeight> (1,376)
296.32054

>  <Item Name> (1,376)
Eslicarbazepine Acetate

>  <Catalog Number> (1,376)
S4657

>  <Synonyms> (1,376)
BIA 2093, Zebinix, Exalief, Stedesa, Aptiom

>  <Target> (1,376)
Others

>  <Form> (1,376)
Free Base

>  <URL> (1,376)
http://www.selleckchem.com/products/eslicarbazepine-acetate.html

>  <CAS Number> (1,376)
236395-14-5

$$$$
S4650 Atipamezole.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,377)
2882

>  <Formula> (1,377)
C14H16N2

>  <MolWeight> (1,377)
212.29024

>  <Item Name> (1,377)
Atipamezole

>  <Catalog Number> (1,377)
S4650

>  <Synonyms> (1,377)
MPV-1248, MPV1248, MPV 1248, Antisedan

>  <Target> (1,377)
Adrenergic Receptor

>  <Form> (1,377)
Free Base

>  <URL> (1,377)
http://www.selleckchem.com/products/atipamezole.html

>  <CAS Number> (1,377)
104054-27-5

$$$$
S4649 Atipamezole hydrochloride.cdx
csChFnd80/07171813022D

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 10  2  2  0  0  0  0
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 13  6  1  0  0  0  0
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 16 13  2  0  0  0  0
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M  END
>  <Mol_ID> (1,378)
2883

>  <Formula> (1,378)
C14H17ClN2

>  <MolWeight> (1,378)
248.75118

>  <Item Name> (1,378)
Atipamezole hydrochloride

>  <Catalog Number> (1,378)
S4649

>  <Synonyms> (1,378)
Antisedan, MPV-1248 hydrochloride, MPV1248 hydrochloride, MPV 1248 hydrochloride

>  <Target> (1,378)
Adrenergic Receptor

>  <Form> (1,378)
hydrochloride

>  <URL> (1,378)
http://www.selleckchem.com/products/atipamezole-hydrochloride.html

>  <CAS Number> (1,378)
104075-48-1

$$$$
S4624 Methylbenactyzine Bromide.cdx
csChFnd80/07171813022D

 26 26  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,379)
2886

>  <Formula> (1,379)
C21H28BrNO3

>  <MolWeight> (1,379)
422.35592

>  <Item Name> (1,379)
Methylbenactyzine Bromide

>  <Catalog Number> (1,379)
S4623

>  <Synonyms> (1,379)
Gastrimade, Noinarin, Paragone, Semulgin

>  <Target> (1,379)
AChR

>  <Form> (1,379)
bromide 

>  <URL> (1,379)
http://selleckchem.com/products/methylbenactyzine-bromide.html

>  <CAS Number> (1,379)
3166-62-9

$$$$
S4641 Tedizolid Phosphate.cdx
csChFnd80/07171813022D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,380)
2888

>  <Formula> (1,380)
C17H16FN6O6P

>  <MolWeight> (1,380)
450.3177042

>  <Item Name> (1,380)
Tedizolid Phosphate

>  <Catalog Number> (1,380)
S4641

>  <Synonyms> (1,380)
TR-701FA

>  <Target> (1,380)
Antifection

>  <Form> (1,380)
Free Base

>  <URL> (1,380)
http://www.selleckchem.com/products/tedizolid-phosphate.html

>  <CAS Number> (1,380)
856867-55-5

$$$$
S4634 SULFADIAZINE SODIUM.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,381)
2889

>  <Formula> (1,381)
C10H9N4NaO2S

>  <MolWeight> (1,381)
272.25883

>  <Item Name> (1,381)
Sodium sulfadiazine

>  <Catalog Number> (1,381)
S4634

>  <Synonyms> (1,381)
Sulfadiazin-natrium

>  <Target> (1,381)
Antifection

>  <Form> (1,381)
Sodium salt

>  <URL> (1,381)
http://www.selleckchem.com/products/sodium-sulfadiazine.html

>  <CAS Number> (1,381)
547-32-0

$$$$
S4606 Glutathione.cdx
csChFnd80/07171813022D

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    8.4870    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
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M  END
>  <Mol_ID> (1,382)
2891

>  <Formula> (1,382)
C10H17N3O6S

>  <MolWeight> (1,382)
307.32348

>  <Item Name> (1,382)
Glutathione

>  <Catalog Number> (1,382)
S4606

>  <Synonyms> (1,382)
Isethion, Glutathion, Tathion

>  <Target> (1,382)
Others

>  <Form> (1,382)
Free Base

>  <URL> (1,382)
http://www.selleckchem.com/products/glutathione.html

>  <CAS Number> (1,382)
70-18-8

$$$$
S4602 Acetohydroxamic acid.cdx
csChFnd80/07171813022D

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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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  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,383)
2892

>  <Formula> (1,383)
C2H5NO2

>  <MolWeight> (1,383)
75.0666

>  <Item Name> (1,383)
Acetohydroxamic acid

>  <Catalog Number> (1,383)
S4602

>  <Synonyms> (1,383)
N-Hydroxyacetamide, Methylhydroxamic acid, Acetic acid|oxime, Lithostat

>  <Target> (1,383)
Antifection

>  <Form> (1,383)
Free Base

>  <URL> (1,383)
http://www.selleckchem.com/products/acetohydroxamic-acid.html

>  <CAS Number> (1,383)
546-88-3

$$$$
Triclosan.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,384)
2893

>  <Formula> (1,384)
C12H7Cl3O2

>  <MolWeight> (1,384)
289.54178

>  <Item Name> (1,384)
Triclosan

>  <Catalog Number> (1,384)
S4541

>  <Synonyms> (1,384)
Irgasan, Cloxifenolum

>  <Target> (1,384)
Antifection

>  <Form> (1,384)
Free Base

>  <URL> (1,384)
http://www.selleckchem.com/products/triclosan.html

>  <CAS Number> (1,384)
3380-34-5

$$$$
S4562 Dehydrocholic acid.cdx
csChFnd80/07171813022D

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    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
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    3.6740    2.8159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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   12.3042    8.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,385)
2898

>  <Formula> (1,385)
C24H34O5

>  <MolWeight> (1,385)
402.52376

>  <Item Name> (1,385)
Dehydrocholic acid

>  <Catalog Number> (1,385)
S4562

>  <Synonyms> (1,385)
Decholin, Dehystolin, Felacrinos, Sanocholen

>  <Target> (1,385)
Others

>  <Form> (1,385)
Free Base

>  <URL> (1,385)
http://www.selleckchem.com/products/dehydrocholic-acid.html

>  <CAS Number> (1,385)
81-23-2

$$$$
S4550 Azelaic acid.cdx
csChFnd80/07171813022D

 13 12  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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    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
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,386)
2899

>  <Formula> (1,386)
C9H16O4

>  <MolWeight> (1,386)
188.22094

>  <Item Name> (1,386)
Azelaic acid

>  <Catalog Number> (1,386)
S4550

>  <Synonyms> (1,386)
Nonanedioic acid, Finacea, Azelex, Anchoic acid

>  <Target> (1,386)
Antifection

>  <Form> (1,386)
Free Base

>  <URL> (1,386)
http://www.selleckchem.com/products/azelaic-acid.html

>  <CAS Number> (1,386)
123-99-9

$$$$
S4607 2,2¡ä-Dihydroxy-4-methoxybenzophenone.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,387)
2900

>  <Formula> (1,387)
C14H12O4

>  <MolWeight> (1,387)
244.24268

>  <Item Name> (1,387)
2,2¡ä-Dihydroxy-4-methoxybenzophenone

>  <Catalog Number> (1,387)
S4607

>  <Synonyms> (1,387)
Dioxybenzone, Dioxybenzon, Advastab 47, Cyasorb UV 24, Benzophenone-8

>  <Target> (1,387)
Others

>  <Form> (1,387)
Free Base

>  <URL> (1,387)
http://www.selleckchem.com/products/2-2-dihydroxy-4-methoxybenzophenone.html

>  <CAS Number> (1,387)
131-53-3

$$$$
S4679 Terazosin.cdx
csChFnd80/07171813022D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,388)
2901

>  <Formula> (1,388)
C19H26ClN5O4

>  <MolWeight> (1,388)
423.89384

>  <Item Name> (1,388)
Terazosin HCl 

>  <Catalog Number> (1,388)
S4679

>  <Synonyms> (1,388)
Terazosin, Hytrin, Zayasel, Terazosine, Flumarc, Fosfomic, Blavin

>  <Target> (1,388)
Adrenergic Receptor

>  <Form> (1,388)
hydrochloride

>  <URL> (1,388)
http://www.selleckchem.com/products/terazosin.html

>  <CAS Number> (1,388)
63074-08-8

$$$$
S4675 Tiagabine.cdx
csChFnd80/07171813022D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,389)
2903

>  <Formula> (1,389)
C20H25NO2S2

>  <MolWeight> (1,389)
375.548

>  <Item Name> (1,389)
Tiagabine

>  <Catalog Number> (1,389)
S4675

>  <Synonyms> (1,389)
Gabitril, NO050328, NO328, TGB

>  <Target> (1,389)
GABA Receptor

>  <Form> (1,389)
Free Base

>  <URL> (1,389)
http://www.selleckchem.com/products/tiagabine.html

>  <CAS Number> (1,389)
115103-54-3

$$$$
S4674 Hydroxyprogesterone caproate.cdx
csChFnd80/07171813022D

 34 37  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,390)
2904

>  <Formula> (1,390)
C27H40O4

>  <MolWeight> (1,390)
428.6041

>  <Item Name> (1,390)
Hydroxyprogesterone caproate

>  <Catalog Number> (1,390)
S4674

>  <Synonyms> (1,390)
17¦Á-Hydroxyprogesterone hexanoate, 17¦Á-Hydroxyprogesterone caproate

>  <Target> (1,390)
Estrogen/progestogen Receptor

>  <Form> (1,390)
Free Base

>  <URL> (1,390)
http://www.selleckchem.com/products/hydroxyprogesterone-caproate.html

>  <CAS Number> (1,390)
630-56-8

$$$$
S4684 Sildenafil.cdx
csChFnd80/07171813022D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (1,391)
2905

>  <Formula> (1,391)
C22H30N6O4S

>  <MolWeight> (1,391)
474.5764

>  <Item Name> (1,391)
Sildenafil

>  <Catalog Number> (1,391)
S4684

>  <Synonyms> (1,391)
Revatio, UK-92480, Viagra

>  <Target> (1,391)
PDE

>  <Form> (1,391)
Free Base

>  <URL> (1,391)
http://www.selleckchem.com/products/sildenafil.html

>  <CAS Number> (1,391)
139755-83-2

$$$$
S4683 Sildenafil Mesylate.cdx
csChFnd80/07171813022D

 38 40  0  0  0  0  0  0  0  0999 V2000
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 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (1,392)
2906

>  <Formula> (1,392)
C23H34N6O7S2

>  <MolWeight> (1,392)
570.68206

>  <Item Name> (1,392)
Sildenafil Mesylate

>  <Catalog Number> (1,392)
S4683

>  <Synonyms> (1,392)
N/A

>  <Target> (1,392)
PDE

>  <Form> (1,392)
Mesylate

>  <URL> (1,392)
http://www.selleckchem.com/products/sildenafil-mesylate.html

>  <CAS Number> (1,392)
1308285-21-3

$$$$
S4694 Alosetron Hydrochloride.cdx
csChFnd80/07171813022D

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    2.7657    1.9057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,393)
2907

>  <Formula> (1,393)
C17H19ClN4O

>  <MolWeight> (1,393)
330.81196

>  <Item Name> (1,393)
Alosetron Hydrochloride

>  <Catalog Number> (1,393)
S4694

>  <Synonyms> (1,393)
GR 68755C, GR 68755, GR 68755X, Lotronex, GR-68755, GR68755

>  <Target> (1,393)
5-HT Receptor

>  <Form> (1,393)
hydrochloride

>  <URL> (1,393)
http://www.selleckchem.com/products/alosetron-hydrochloride.html

>  <CAS Number> (1,393)
122852-69-1

$$$$
S4693 Guanfacine Hydrochloride.cdx
csChFnd80/07171813022D

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    3.6357    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8484    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6357    0.0019    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.2055    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,394)
2908

>  <Formula> (1,394)
C9H10Cl3N3O

>  <MolWeight> (1,394)
282.5542

>  <Item Name> (1,394)
Guanfacine Hydrochloride

>  <Catalog Number> (1,394)
S4693

>  <Synonyms> (1,394)
Guanfacine Hydrochloride, Guanfacine, Tenex, Intuniv

>  <Target> (1,394)
5-HT Receptor

>  <Form> (1,394)
hydrochloride

>  <URL> (1,394)
http://www.selleckchem.com/products/guanfacine-hydrochloride.html

>  <CAS Number> (1,394)
29110-48-3

$$$$
S4691 Oxybenzone.cdx
csChFnd80/07171813022D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.8805    3.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    4.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    4.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8851    2.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    3.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    5.5685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3146    3.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    5.5802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1030    1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401    2.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3299    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (1,395)
2909

>  <Formula> (1,395)
C14H12O3

>  <MolWeight> (1,395)
228.24328

>  <Item Name> (1,395)
Oxybenzone

>  <Catalog Number> (1,395)
S4691

>  <Synonyms> (1,395)
Oxybenzone, Eusolex 4360, Escalol 567, KAHSCREEN BZ-3, Benzophenone 3

>  <Target> (1,395)
Others

>  <Form> (1,395)
Free Base

>  <URL> (1,395)
http://www.selleckchem.com/products/oxybenzone.html

>  <CAS Number> (1,395)
131-57-7

$$$$
S4666 Sivelestat sodium.cdx
csChFnd80/07171813022D

 35 31  0  0  0  0  0  0  0  0999 V2000
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   13.8799    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9799    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.3799    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799    3.6373    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8799    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1799    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4740    3.5762    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.3823    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
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  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
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M  END
>  <Mol_ID> (1,396)
2910

>  <Formula> (1,396)
C20H29N2NaO11S

>  <MolWeight> (1,396)
528.50583

>  <Item Name> (1,396)
Sivelestat sodium tetrahydrate

>  <Catalog Number> (1,396)
S4666

>  <Synonyms> (1,396)
Sivelestat sodium, ONO5046-Na, Sodium sivelestat, EI546 sodium, LY544349 sodium

>  <Target> (1,396)
Serine Protease

>  <Form> (1,396)
Sodium salt tetrahydrate

>  <URL> (1,396)
http://www.selleckchem.com/products/sivelestat-sodium.html

>  <CAS Number> (1,396)
201677-61-4

$$$$
S4664 Molsidomine.cdx
csChFnd80/07171813022D

 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> (1,397)
2911

>  <Formula> (1,397)
C9H14N4O4

>  <MolWeight> (1,397)
242.23186

>  <Item Name> (1,397)
Molsidomine

>  <Catalog Number> (1,397)
S4664

>  <Synonyms> (1,397)
SIN-10, Corvaton, Morsydomine

>  <Target> (1,397)
Others

>  <Form> (1,397)
inner salt

>  <URL> (1,397)
http://www.selleckchem.com/products/molsidomine.html

>  <CAS Number> (1,397)
25717-80-0

$$$$
S4661 Tiagabine (hydrochloride).cdx
csChFnd80/07171813022D

 26 27  0  0  0  0  0  0  0  0999 V2000
    3.4345    4.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    4.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    4.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4345    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7912    6.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9489    4.3952    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859    6.3383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9370    4.3941    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6469    2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    6.6509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7449    7.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8722    5.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    6.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1332    7.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8593    2.8744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    2.1744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    2.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0720    0.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5237    2.1586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2752    0.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4967    0.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7361    2.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9567    2.1539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7361    4.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4543    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  2  0  0  0  0
 13 15  2  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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  6  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,398)
2912

>  <Formula> (1,398)
C20H26ClNO2S2

>  <MolWeight> (1,398)
412.00894

>  <Item Name> (1,398)
Tiagabine hydrochloride

>  <Catalog Number> (1,398)
S4661

>  <Synonyms> (1,398)
Gabitril hydrochloride, NO050328 hydrochloride, NO328 hydrochloride, TGB hydrochloride

>  <Target> (1,398)
GABA Receptor

>  <Form> (1,398)
hydrochloride

>  <URL> (1,398)
http://www.selleckchem.com/products/tiagabine-hydrochloride.html

>  <CAS Number> (1,398)
145821-59-6

$$$$
S4660 Glycopyrrolate.cdx
csChFnd80/07171813022D

 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> (1,399)
2913

>  <Formula> (1,399)
C19H28BrNO3

>  <MolWeight> (1,399)
398.33452

>  <Item Name> (1,399)
Glycopyrrolate

>  <Catalog Number> (1,399)
S4660

>  <Synonyms> (1,399)
Glycopyrrolate bromide, Glycopyrronium bromide, Robinul, Gastrodyn

>  <Target> (1,399)
AChR

>  <Form> (1,399)
bromide

>  <URL> (1,399)
http://www.selleckchem.com/products/glycopyrrolate.html

>  <CAS Number> (1,399)
596-51-0

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/07171813022D

 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
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    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
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 20 21  1  0  0  0  0
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 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> (1,400)
2915

>  <Formula> (1,400)
C20H26N2O2

>  <MolWeight> (1,400)
326.43264

>  <Item Name> (1,400)
Hydroquinidine

>  <Catalog Number> (1,400)
S4658

>  <Synonyms> (1,400)
Dihydroquinidine, Hydroconchinine, Hydroconquinine, Dihydroquinine

>  <Target> (1,400)
Others

>  <Form> (1,400)
Free Base

>  <URL> (1,400)
http://www.selleckchem.com/products/hydroquinidine.html

>  <CAS Number> (1,400)
1435-55-8

$$$$
S4655 Sulpiride.cdx
csChFnd80/07171813022D

 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
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    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
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
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  3  7  2  0  0  0  0
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  4  9  2  0  0  0  0
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  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> (1,401)
2916

>  <Formula> (1,401)
C15H23N3O4S

>  <MolWeight> (1,401)
341.42582

>  <Item Name> (1,401)
Sulpiride

>  <Catalog Number> (1,401)
S4655

>  <Synonyms> (1,401)
Dolmatil, Dobren, Sulpyrid, Aiglonyl, Dogmatil

>  <Target> (1,401)
Dopamine Receptor

>  <Form> (1,401)
Free Base

>  <URL> (1,401)
http://www.selleckchem.com/products/sulpiride.html

>  <CAS Number> (1,401)
15676-16-1

$$$$
S4654 Netupitant.cdx
csChFnd80/07171813022D

 41 44  0  0  0  0  0  0  0  0999 V2000
    8.4719    6.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6843    6.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8967    5.3590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,402)
2917

>  <Formula> (1,402)
C30H32F6N4O

>  <MolWeight> (1,402)
578.5916992

>  <Item Name> (1,402)
Netupitant

>  <Catalog Number> (1,402)
S4654

>  <Synonyms> (1,402)
CID6451149, CID 6451149, CID-6451149

>  <Target> (1,402)
Substance P

>  <Form> (1,402)
Free Base

>  <URL> (1,402)
http://www.selleckchem.com/products/netupitant.html

>  <CAS Number> (1,402)
290297-26-6

$$$$
S4651 Etoricoxib.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,403)
2918

>  <Formula> (1,403)
C18H15ClN2O2S

>  <MolWeight> (1,403)
358.8419

>  <Item Name> (1,403)
Etoricoxib

>  <Catalog Number> (1,403)
S4651

>  <Synonyms> (1,403)
Arcoxia, MK-663, MK-0663, Tauxib, Algix, Nucoxia

>  <Target> (1,403)
COX

>  <Form> (1,403)
Free  Base

>  <URL> (1,403)
http://www.selleckchem.com/products/etoricoxib.html

>  <CAS Number> (1,403)
202409-33-4

$$$$
S4658 Hydroquinidine.cdx
csChFnd80/07171813022D

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M  END
>  <Mol_ID> (1,404)
2919

>  <Formula> (1,404)
C20H26N2O2

>  <MolWeight> (1,404)
326.43264

>  <Item Name> (1,404)
Dantrolene sodium hemiheptahydrate

>  <Catalog Number> (1,404)
S4648

>  <Synonyms> (1,404)
Dantrolene sodium salt, Dantrium, Sodium dantrolene

>  <Target> (1,404)
Calcium Channel

>  <Form> (1,404)
Sodium salt hemiheptahydrate

>  <URL> (1,404)
http://www.selleckchem.com/products/dantrolene-sodium.html

>  <CAS Number> (1,404)
24868-20-0

$$$$
S4646 Ciclesonide.cdx
csChFnd80/07171813022D

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 38 39  2  0  0  0  0
 18 41  1  6  0  0  0
 14 42  1  1  0  0  0
  3 43  1  1  0  0  0
M  END
>  <Mol_ID> (1,405)
2920

>  <Formula> (1,405)
C32H44O7

>  <MolWeight> (1,405)
540.68756

>  <Item Name> (1,405)
Ciclesonide

>  <Catalog Number> (1,405)
S4646

>  <Synonyms> (1,405)
Ciclesonide, Alvesco, Omnaris, RPR251526, Zetonna

>  <Target> (1,405)
Others

>  <Form> (1,405)
Free Base

>  <URL> (1,405)
http://www.selleckchem.com/products/ciclesonide.html

>  <CAS Number> (1,405)
126544-47-6

$$$$
S4637 Prasugrel Hydrochloride.cdx
csChFnd80/07171813022D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 16  1  1  0  0  0  0
  2 10  1  0  0  0  0
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  5  2  2  0  0  0  0
  3  7  2  0  0  0  0
 12  3  1  0  0  0  0
  6  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
  5 15  1  0  0  0  0
  6  5  1  0  0  0  0
 11  8  1  0  0  0  0
 19  8  2  0  0  0  0
 18  9  2  0  0  0  0
 22  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 17 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 20 17  2  0  0  0  0
 23 17  1  0  0  0  0
 21 18  1  0  0  0  0
 24 18  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,406)
2921

>  <Formula> (1,406)
C20H21ClFNO3S

>  <MolWeight> (1,406)
409.9020432

>  <Item Name> (1,406)
Prasugrel Hydrochloride

>  <Catalog Number> (1,406)
S4637

>  <Synonyms> (1,406)
Prasugrel HCl, LY 640315

>  <Target> (1,406)
P2 Receptor

>  <Form> (1,406)
hydrochloride

>  <URL> (1,406)
http://www.selleckchem.com/products/prasugrel-hydrochloride.html

>  <CAS Number> (1,406)
389574-19-0

$$$$
S4695 D panthenol.cdx
csChFnd80/07171813022D

 14 13  0  0  0  0  0  0  0  0999 V2000
    3.3124    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.5870    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  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
  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> (1,407)
2923

>  <Formula> (1,407)
C9H19NO4

>  <MolWeight> (1,407)
205.25146

>  <Item Name> (1,407)
D panthenol

>  <Catalog Number> (1,407)
S4695

>  <Synonyms> (1,407)
Dexpanthenol, D-Panthenol, Pantothenol, Ilopan, D-Pantothenyl alcohol

>  <Target> (1,407)
Vitamin

>  <Form> (1,407)
Free Base

>  <URL> (1,407)
http://www.selleckchem.com/products/d-panthenol.html

>  <CAS Number> (1,407)
81-13-0

$$$$
S4682 Loxoprofen.cdx
csChFnd80/07171813022D

 18 19  0  0  0  0  0  0  0  0999 V2000
    6.3010    2.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010    2.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6020    3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4020    3.6322    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2020    3.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7944    3.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8336    4.9116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    2.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0866    5.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7304    2.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8747    5.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    3.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
>  <Mol_ID> (1,408)
2924

>  <Formula> (1,408)
C15H18O3

>  <MolWeight> (1,408)
246.30162

>  <Item Name> (1,408)
Loxoprofen

>  <Catalog Number> (1,408)
S4682

>  <Synonyms> (1,408)
Koloxo, Loxoprofene, Loxoprofeno

>  <Target> (1,408)
COX

>  <Form> (1,408)
Free Base

>  <URL> (1,408)
http://www.selleckchem.com/products/loxoprofen.html

>  <CAS Number> (1,408)
68767-14-6

$$$$
S4680 Protirelin.cdx
csChFnd80/07171813022D

 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
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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  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
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 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> (1,409)
2926

>  <Formula> (1,409)
C16H22N6O4

>  <MolWeight> (1,409)
362.38368

>  <Item Name> (1,409)
Protirelin

>  <Catalog Number> (1,409)
S4680

>  <Synonyms> (1,409)
Thyroliberin, Lopremone, Synthetic TRH, Thyrotropin-releasing hormone, Rifathyroin

>  <Target> (1,409)
Others

>  <Form> (1,409)
Free Base

>  <URL> (1,409)
http://www.selleckchem.com/products/protirelin.html

>  <CAS Number> (1,409)
24305-27-9

$$$$
S4665 Rebeprazole sodium.cdx
csChFnd80/07171813022D

 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
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 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (1,410)
2927

>  <Formula> (1,410)
C18H20N3NaO3S

>  <MolWeight> (1,410)
381.42447

>  <Item Name> (1,410)
Rebeprazole sodium

>  <Catalog Number> (1,410)
S4665

>  <Synonyms> (1,410)
Aciphex Sodium, Dexrabeprazole Sodium, Habeprazole Sodium

>  <Target> (1,410)
Proton Pump

>  <Form> (1,410)
sodium salt

>  <URL> (1,410)
http://www.selleckchem.com/products/rebeprazole-sodium.html

>  <CAS Number> (1,410)
117976-90-6

$$$$
S4663 Fusidate Sodium.cdx
csChFnd80/07171813022D

 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
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    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
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   10.5278    4.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8776    4.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4988    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
 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> (1,411)
2928

>  <Formula> (1,411)
C31H47NaO6

>  <MolWeight> (1,411)
538.69105

>  <Item Name> (1,411)
Fusidate Sodium

>  <Catalog Number> (1,411)
S4663

>  <Synonyms> (1,411)
Fucidin, Sodium fusidate, SQ-16360

>  <Target> (1,411)
Antifection

>  <Form> (1,411)
sodium salt

>  <URL> (1,411)
http://www.selleckchem.com/products/fusidate-sodium.html

>  <CAS Number> (1,411)
751-94-0

$$$$
S4601 5-Chloro-8-hydroxy-7-iodoquinoline.cdx
csChFnd80/07171813022D

 13 14  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
M  END
>  <Mol_ID> (1,412)
2929

>  <Formula> (1,412)
C9H5ClINO

>  <MolWeight> (1,412)
305.49957

>  <Item Name> (1,412)
Clioquinol

>  <Catalog Number> (1,412)
S4601

>  <Synonyms> (1,412)
Clioquinol, Iodochlorhydroxyquin, Chinoform

>  <Target> (1,412)
Antifection

>  <Form> (1,412)
Free Base

>  <URL> (1,412)
http://www.selleckchem.com/products/5-chloro-8-hydroxy-7-iodoquinoline.html

>  <CAS Number> (1,412)
130-26-7

$$$$
S4685 Efavirenz.cdx
csChFnd80/07171813022D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.5961    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9498    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7496    3.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0499    2.4512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    1.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8345    0.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8221    4.4236    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  6  0  0  0
  6  1  1  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  0  0  0  0
  9  2  3  0  0  0  0
  8  3  2  0  0  0  0
 11  3  1  0  0  0  0
  4  6  1  0  0  0  0
  7  4  1  0  0  0  0
 14  4  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  8  7  1  0  0  0  0
 15  8  1  0  0  0  0
 10  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 16 11  2  0  0  0  0
 12 13  1  0  0  0  0
 15 17  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
>  <Mol_ID> (1,413)
2930

>  <Formula> (1,413)
C14H9ClF3NO2

>  <MolWeight> (1,413)
315.6749696

>  <Item Name> (1,413)
Efavirenz

>  <Catalog Number> (1,413)
S4685

>  <Synonyms> (1,413)
Sustiva, Stocrin, DMP-266, DMP 266

>  <Target> (1,413)
Reverse Transcriptase

>  <Form> (1,413)
Free Base

>  <URL> (1,413)
http://www.selleckchem.com/products/efavirenz.html

>  <CAS Number> (1,413)
154598-52-4

$$$$
S4696 ArbinoxaMine Maleate.cdx
csChFnd80/07171813022D

 28 28  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.4858    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6373    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.4858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4714    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4714    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6839    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6839    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8963    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6839    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8963    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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  8  2  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 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
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  2  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  2  0  0  0  0
 24 27  1  0  0  0  0
 24 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,414)
2932

>  <Formula> (1,414)
C20H23ClN2O5

>  <MolWeight> (1,414)
406.86002

>  <Item Name> (1,414)
arbinoxaMine Maleate

>  <Catalog Number> (1,414)
S4696

>  <Synonyms> (1,414)
N/A

>  <Target> (1,414)
Histamine Receptor

>  <Form> (1,414)
maleate

>  <URL> (1,414)
http://www.selleckchem.com/products/arbinoxamine-maleate.html

>  <CAS Number> (1,414)
3505-38-2

$$$$
S4669 Benzocaine hydrochloride.cdx
csChFnd80/07171813032D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,415)
2934

>  <Formula> (1,415)
C9H12ClNO2

>  <MolWeight> (1,415)
201.65008

>  <Item Name> (1,415)
Benzocaine hydrochloride

>  <Catalog Number> (1,415)
S4669

>  <Synonyms> (1,415)
Ethyl 4-aminobenzoate hydrochloride, Benzocaine HCl, Ethyl p-aminobenzoate hydrochloride

>  <Target> (1,415)
Sodium Channel

>  <Form> (1,415)
hydrochloride

>  <URL> (1,415)
http://www.selleckchem.com/products/benzocaine-hydrochloride.html

>  <CAS Number> (1,415)
23239-88-5

$$$$
S4668 Procaine.cdx
csChFnd80/07171813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    3.6372    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1001    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
    7.2745    2.8001    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
    8.4870    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    2.8001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,416)
2935

>  <Formula> (1,416)
C13H20N2O2

>  <MolWeight> (1,416)
236.3101

>  <Item Name> (1,416)
Procaine

>  <Catalog Number> (1,416)
S4668

>  <Synonyms> (1,416)
Procaine, Novocaine, Vitamin H3, Duracaine, Spinocaine

>  <Target> (1,416)
Sodium Channel

>  <Form> (1,416)
Free Base

>  <URL> (1,416)
http://www.selleckchem.com/products/procaine.html

>  <CAS Number> (1,416)
59-46-1

$$$$
S4667 Lidocaine hydrochloride.cdx
csChFnd80/07171813032D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.2729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6784    4.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    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
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 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
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M  END
>  <Mol_ID> (1,417)
2936

>  <Formula> (1,417)
C14H23ClN2O

>  <MolWeight> (1,417)
270.79822

>  <Item Name> (1,417)
Lidocaine hydrochloride

>  <Catalog Number> (1,417)
S4667

>  <Synonyms> (1,417)
	Lidocaine HCL, Lidothesin, Lignocaine hydrochloride, Xyloneural

>  <Target> (1,417)
Others

>  <Form> (1,417)
hydrochloride

>  <URL> (1,417)
http://www.selleckchem.com/products/lidocaine-hydrochloride.html

>  <CAS Number> (1,417)
73-78-9

$$$$
XENAZINE (tetrabenazine).cdx
csChFnd80/07171813032D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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> (1,418)
2937

>  <Formula> (1,418)
C19H27NO3

>  <MolWeight> (1,418)
317.42258

>  <Item Name> (1,418)
Tetrabenazine (Nitoman, Xenazine)

>  <Catalog Number> (1,418)
S1789

>  <Synonyms> (1,418)
N/A

>  <Target> (1,418)
5-alpha Reductase

>  <Form> (1,418)
Free Base

>  <URL> (1,418)
http://www.selleckchem.com/products/Tetrabenazine(Nitoman).html

>  <CAS Number> (1,418)
58-46-8

$$$$
S4690 Vitamin E.cdx
csChFnd80/07171813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.6403    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8491    4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0658    2.1073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2161    2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0628    3.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2782    1.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036    1.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9256    3.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5292    1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9535    1.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7776    3.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2022    2.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6268    3.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0592    3.1007    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
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 11  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  6  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
 23 25  1  6  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
 28 30  1  0  0  0  0
  7 31  1  1  0  0  0
M  END
>  <Mol_ID> (1,419)
2938

>  <Formula> (1,419)
C29H50O2

>  <MolWeight> (1,419)
430.7061

>  <Item Name> (1,419)
Vitamin E

>  <Catalog Number> (1,419)
S4686

>  <Synonyms> (1,419)
	Alpha-Tocopherol, D-alpha-Tocopherol, 5,7,8-Trimethyltocol|(+)-alpha-Tocopherol

>  <Target> (1,419)
COX,VEGFR

>  <Form> (1,419)
Free Base

>  <URL> (1,419)
http://www.selleckchem.com/products/vitamin-e.html

>  <CAS Number> (1,419)
59-02-9

$$$$
S4689 Deoxycholic acid.cdx
csChFnd80/07171813032D

 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
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    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
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    6.0623    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (1,420)
2939

>  <Formula> (1,420)
C24H40O4

>  <MolWeight> (1,420)
392.572

>  <Item Name> (1,420)
Deoxycholic acid

>  <Catalog Number> (1,420)
S4689

>  <Synonyms> (1,420)
Deoxycholate, Desoxycholic acid, Cholerebic, Cholorebic

>  <Target> (1,420)
Others

>  <Form> (1,420)
Free Base

>  <URL> (1,420)
http://www.selleckchem.com/products/deoxycholic-acid.html

>  <CAS Number> (1,420)
83-44-3

$$$$
S4697 Saxagliptin hydrate.cdx
csChFnd80/07171813032D

 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
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    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> (1,421)
2941

>  <Formula> (1,421)
C18H27N3O3

>  <MolWeight> (1,421)
333.42528

>  <Item Name> (1,421)
Saxagliptin hydrate 

>  <Catalog Number> (1,421)
S4697

>  <Synonyms> (1,421)
BMS-477118 hydrate, Onglyza hydrate, BMS 477118 hydrate, BMS477118 hydrate

>  <Target> (1,421)
DPP-4

>  <Form> (1,421)
hydrate

>  <URL> (1,421)
http://www.selleckchem.com/products/saxagliptin-hydrate.html

>  <CAS Number> (1,421)
945667-22-1

$$$$
S4636 Teneligliptin hydrobromide.cdx
csChFnd80/07171813032D

 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
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    3.2685   10.6613    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
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
A   31
2.5HBr
M  END
>  <Mol_ID> (1,422)
2942

>  <Formula> (1,422)
C22H30N6ORS

>  <MolWeight> (1,422)
426.5782

>  <Item Name> (1,422)
Teneligliptin hydrobromide

>  <Catalog Number> (1,422)
S4636

>  <Synonyms> (1,422)
Teneligliptin hydrobromide anhydrous

>  <Target> (1,422)
DPP-4

>  <Form> (1,422)
hydrobromide

>  <URL> (1,422)
http://www.selleckchem.com/products/teneligliptin-hydrobromide.html

>  <CAS Number> (1,422)
906093-29-6

$$$$
S4671 Cefradine.cdx
csChFnd80/07171813032D

 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
   12.4338    2.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0628    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0728    5.8262    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  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 25  1  6  0  0  0
  3  7  2  0  0  0  0
  3  5  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  1  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 11  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
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  1  0  0  0
 18 20  1  0  0  0  0
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 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (1,423)
2943

>  <Formula> (1,423)
C16H19N3O4S

>  <MolWeight> (1,423)
349.40476

>  <Item Name> (1,423)
Cefradine

>  <Catalog Number> (1,423)
S4671

>  <Synonyms> (1,423)
Cephradine, Sefril, Anspor, Cephradin, Velosef

>  <Target> (1,423)
Antifection

>  <Form> (1,423)
Free Base

>  <URL> (1,423)
http://www.selleckchem.com/products/cefradine.html

>  <CAS Number> (1,423)
38821-53-3

$$$$
Emricasan (IDN-6556, PF-03491390).cdx
csChFnd80/07171813032D

 40 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    3.5000    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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  3  7  1  0  0  0  0
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  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 28 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
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,424)
2945

>  <Formula> (1,424)
C26H27F4N3O7

>  <MolWeight> (1,424)
569.5020928

>  <Item Name> (1,424)
Emricasan (IDN-6556, PF-03491390)

>  <Catalog Number> (1,424)
S7775

>  <Synonyms> (1,424)
IDN-6556, PF 03491390, PF-03491390

>  <Target> (1,424)
Caspase

>  <Form> (1,424)
Free Base

>  <URL> (1,424)
http://www.selleckchem.com/products/emricasan-idn-6556-pf-03491390.html

>  <CAS Number> (1,424)
254750-02-2

$$$$
Atazanavir.cdx
csChFnd80/07171813032D

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.4333    4.9073    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
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  6 14  1  1  0  0  0
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 14 17  1  0  0  0  0
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 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 11 25  1  1  0  0  0
 13 26  1  0  0  0  0
 26 27  1  0  0  0  0
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 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 35 41  1  0  0  0  0
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 28 48  1  1  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
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M  END
>  <Mol_ID> (1,425)
2946

>  <Formula> (1,425)
C38H52N6O7

>  <MolWeight> (1,425)
704.85548

>  <Item Name> (1,425)
Atazanavir

>  <Catalog Number> (1,425)
S4662

>  <Synonyms> (1,425)
Latazanavir, Zrivada, Reyataz, BMS-232632

>  <Target> (1,425)
HIV Protease

>  <Form> (1,425)
Free Base

>  <URL> (1,425)
http://www.selleckchem.com/products/atazanavir-reyataz.html

>  <CAS Number> (1,425)
198904-31-3

$$$$
Kanamycin sulfate.cdx
csChFnd80/07171813032D

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    1.2082    5.9451    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,426)
2947

>  <Formula> (1,426)
C18H38N4O15S

>  <MolWeight> (1,426)
582.57712

>  <Item Name> (1,426)
Kanamycin sulfate

>  <Catalog Number> (1,426)
S2315

>  <Synonyms> (1,426)
Kanamycin monosulfate

>  <Target> (1,426)
Antifection

>  <Form> (1,426)
sulfate

>  <URL> (1,426)
http://www.selleckchem.com/products/Kanamycin-sulfate(Kantrex).html

>  <CAS Number> (1,426)
25389-94-0

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/07171813032D

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    1.2124    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 13  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,427)
2949

>  <Formula> (1,427)
C26H28N4O4S

>  <MolWeight> (1,427)
492.58992

>  <Item Name> (1,427)
MK-4827(Niraparib) tosylate

>  <Catalog Number> (1,427)
S7625

>  <Synonyms> (1,427)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (1,427)
PARP

>  <Form> (1,427)
4-?methylbenzen

>  <URL> (1,427)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

>  <CAS Number> (1,427)
1038915-73-9

$$$$
Polymyxin B sulphate.cdx
csChFnd80/07171813032D

 90 90  0  0  0  0  0  0  0  0999 V2000
   24.8282   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   27.2182   12.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2081   11.5455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,428)
2950

>  <Formula> (1,428)
C56H100N16O17S

>  <MolWeight> (1,428)
1301.5552

>  <Item Name> (1,428)
Polymyxin B sulphate

>  <Catalog Number> (1,428)
S1395

>  <Synonyms> (1,428)
Aerosporin, PMB, Poly-RX

>  <Target> (1,428)
Antifection

>  <Form> (1,428)
sulfate

>  <URL> (1,428)
http://www.selleckchem.com/products/Polymyxin-B-sulphate.html

>  <CAS Number> (1,428)
1405-20-5, 4135-11-9 (free base)

$$$$
Rivastigmine.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,429)
2958

>  <Formula> (1,429)
C14H22N2O2

>  <MolWeight> (1,429)
250.33668

>  <Item Name> (1,429)
Rivastigmine

>  <Catalog Number> (1,429)
S4687

>  <Synonyms> (1,429)
Rivastigmine, SDZ-ENA 713, Exelon

>  <Target> (1,429)
AChR

>  <Form> (1,429)
Free Base

>  <URL> (1,429)
http://www.selleckchem.com/products/rivastigmine.html

>  <CAS Number> (1,429)
123441-03-2

$$$$
Tazobactam.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,430)
2962

>  <Formula> (1,430)
C10H12N4O5S

>  <MolWeight> (1,430)
300.29108

>  <Item Name> (1,430)
Tazobactam

>  <Catalog Number> (1,430)
S3077

>  <Synonyms> (1,430)
N/A

>  <Target> (1,430)
Antifection

>  <Form> (1,430)
Free Base

>  <URL> (1,430)
http://www.selleckchem.com/products/tazobactam.html

>  <CAS Number> (1,430)
89786-04-9, 89785-84-2 (sodium salt)

$$$$
S4673 Etonogestrel.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,431)
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>  <Formula> (1,431)
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>  <MolWeight> (1,431)
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>  <Item Name> (1,431)
Etonogestrel

>  <Catalog Number> (1,431)
S4673

>  <Synonyms> (1,431)
Implanon, Nexplanon, 3-Oxodesogestrel, 3-keto-Desogestrel

>  <Target> (1,431)
Estrogen/progestogen Receptor

>  <Form> (1,431)
Free Base

>  <URL> (1,431)
http://www.selleckchem.com/products/etonogestrel.html

>  <CAS Number> (1,431)
54048-10-1

$$$$
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>  <Mol_ID> (1,432)
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>  <Formula> (1,432)
C55H86O24

>  <MolWeight> (1,432)
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Escin

>  <Catalog Number> (1,432)
S4690

>  <Synonyms> (1,432)
Aescin

>  <Target> (1,432)
Immunology & Inflammation related

>  <Form> (1,432)
Free Base

>  <URL> (1,432)
http://www.selleckchem.com/products/escin.html

>  <CAS Number> (1,432)
6805-41-0

$$$$
>  <Mol_ID> (1,433)
2969

>  <Item Name> (1,433)
Aprotinin

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S7377

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N/A

>  <Target> (1,433)
Serine Protease

>  <URL> (1,433)
http://www.selleckchem.com/products/aprotinin.html

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9087-70-1

$$$$
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csChFnd80/07171813032D

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>  <Formula> (1,434)
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TH-302

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>  <Synonyms> (1,434)
N/A

>  <Target> (1,434)
P450

>  <Form> (1,434)
free base

>  <URL> (1,434)
http://www.selleckchem.com/products/th-302.html

>  <CAS Number> (1,434)
918633-87-1

$$$$
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   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  5  6  2  0  0  0  0
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  1  7  1  0  0  0  0
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  7  9  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
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  4 14  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
M  END
>  <Mol_ID> (1,435)
2982

>  <Formula> (1,435)
C13H18Cl2N2O2

>  <MolWeight> (1,435)
305.20022

>  <Item Name> (1,435)
Melphalan

>  <Catalog Number> (1,435)
S8266

>  <Synonyms> (1,435)
Alkeran, Sarcolysin, L-PAM

>  <Target> (1,435)
Others

>  <Form> (1,435)
Free Base

>  <URL> (1,435)
http://www.selleckchem.com/products/melphalan.html

>  <CAS Number> (1,435)
148-82-3

$$$$
S4727 Cinnarizine.cdx
csChFnd80/07171813032D

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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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    2.4249    6.3000    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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   10.9119    0.0000    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  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
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  6 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
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 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
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 15 19  2  0  0  0  0
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 17 20  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (1,436)
2987

>  <Formula> (1,436)
C26H28N2

>  <MolWeight> (1,436)
368.51392

>  <Item Name> (1,436)
Cinnarizine

>  <Catalog Number> (1,436)
S4727

>  <Synonyms> (1,436)
Stugeron|Dimitronal|Stutgin|Cinarizine

>  <Target> (1,436)
Calcium Channel

>  <Form> (1,436)
Free Base

>  <URL> (1,436)
http://www.selleckchem.com/products/cinnarizine.html

>  <CAS Number> (1,436)
298-57-7

$$$$
S4718 Acetylcholine iodide.cdx
csChFnd80/07171813032D

 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
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    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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    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2496    2.3606    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,437)
2996

>  <Formula> (1,437)
C7H16INO2

>  <MolWeight> (1,437)
273.11191

>  <Item Name> (1,437)
Acetylcholine iodide

>  <Catalog Number> (1,437)
S4718

>  <Synonyms> (1,437)
Acetylcolina

>  <Target> (1,437)
Others

>  <Form> (1,437)
iodide salt

>  <URL> (1,437)
http://www.selleckchem.com/products/acetylcholine-iodide.html

>  <CAS Number> (1,437)
2260-50-6

$$$$
S4714 (-)-Menthol.cdx
csChFnd80/07171813032D

 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
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    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> (1,438)
2998

>  <Formula> (1,438)
C10H20O

>  <MolWeight> (1,438)
156.2652

>  <Item Name> (1,438)
(-)-Menthol

>  <Catalog Number> (1,438)
S4714

>  <Synonyms> (1,438)
L-Menthol|Levomenthol|Menthomenthol|Menthacamphor

>  <Target> (1,438)
Others

>  <Form> (1,438)
Free Base

>  <URL> (1,438)
http://www.selleckchem.com/products/-menthol.html

>  <CAS Number> (1,438)
2216-51-5

$$$$
TEGISON (etretinate).cdx
csChFnd80/07171813032D

 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
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  3  4  2  0  0  0  0
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M  END
>  <Mol_ID> (1,439)
3004

>  <Formula> (1,439)
C23H30O3

>  <MolWeight> (1,439)
354.4825

>  <Item Name> (1,439)
Etretinate

>  <Catalog Number> (1,439)
S4699

>  <Synonyms> (1,439)
N/A

>  <Target> (1,439)
Retinoid Receptor

>  <Form> (1,439)
Free Base

>  <URL> (1,439)
http://www.selleckchem.com/products/etretinate.html

>  <CAS Number> (1,439)
54350-48-0

$$$$
Pantoprazole.cdx
csChFnd80/07171813032D

 26 28  0  0  0  0  0  0  0  0999 V2000
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    4.8371    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    1.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,440)
3018

>  <Formula> (1,440)
C16H15F2N3O4S

>  <MolWeight> (1,440)
383.3698064

>  <Item Name> (1,440)
Pantoprazole (Protonix)

>  <Catalog Number> (1,440)
S2105

>  <Synonyms> (1,440)
N/A

>  <Target> (1,440)
Proton Pump

>  <Form> (1,440)
Free Base

>  <URL> (1,440)
http://www.selleckchem.com/products/pantoprazole-protonix.html

>  <CAS Number> (1,440)
102625-70-7

$$$$
S4700 4-Aminobutyric acid.cdx
csChFnd80/07171813032D

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,441)
3027

>  <Formula> (1,441)
C4H9NO2

>  <MolWeight> (1,441)
103.11976

>  <Item Name> (1,441)
4-Aminobutyric acid

>  <Catalog Number> (1,441)
S4700

>  <Synonyms> (1,441)
4-Aminobutanoic acid, GABA, Gamma-aminobutyric acid, Piperidic acid

>  <Target> (1,441)
GABA Receptor

>  <Form> (1,441)
Free Base

>  <URL> (1,441)
http://www.selleckchem.com/products/4-aminobutyric-acid.html

>  <CAS Number> (1,441)
56-12-2

$$$$
S4709 Latanoprost.cdx
csChFnd80/07171813032D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.2373    7.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4598    6.1253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3483    8.4038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    1.0772    6.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.9892    7.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    9.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507    4.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0356    9.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  6  1  1  0  0  0
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  3  8  1  6  0  0  0
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  5 10  1  6  0  0  0
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 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (1,442)
3032

>  <Formula> (1,442)
C26H40O5

>  <MolWeight> (1,442)
432.5928

>  <Item Name> (1,442)
Latanoprost

>  <Catalog Number> (1,442)
S4709

>  <Synonyms> (1,442)
Xalatan, PhXA41, PHXA-41

>  <Target> (1,442)
GPR

>  <Form> (1,442)
Free Base

>  <URL> (1,442)
http://www.selleckchem.com/products/latanoprost.html

>  <CAS Number> (1,442)
130209-82-4

$$$$
PERPHENAZINE (perphenazine).cdx
csChFnd80/07171813032D

 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
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   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
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
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 14  9  1  0  0  0  0
 10 15  1  0  0  0  0
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 25 26  1  0  0  0  0
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M  END
>  <Mol_ID> (1,443)
3036

>  <Formula> (1,443)
C21H26ClN3OS

>  <MolWeight> (1,443)
403.96864

>  <Item Name> (1,443)
Perphenazine

>  <Catalog Number> (1,443)
S4731

>  <Synonyms> (1,443)
Perphenazine, Perphenazin, Trilafon, Etaperazine

>  <Target> (1,443)
Dopamine Receptor

>  <Form> (1,443)
Free Base

>  <URL> (1,443)
http://www.selleckchem.com/products/perphenazine.html

>  <CAS Number> (1,443)
58-39-9

$$$$
Prochlorperazine dimaleate salt.cdx
csChFnd80/07171813032D

 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
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    6.0622    1.0816    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)
3037

>  <Formula> (1,444)
C28H32ClN3O8S

>  <MolWeight> (1,444)
606.08698

>  <Item Name> (1,444)
Prochlorperazine dimaleate salt

>  <Catalog Number> (1,444)
S4631

>  <Synonyms> (1,444)
Prochlorperazin, Compazine, Capazine, Stemetil

>  <Target> (1,444)
Dopamine Receptor

>  <Form> (1,444)
dimaleate

>  <URL> (1,444)
http://www.selleckchem.com/products/prochlorperazine.html

>  <CAS Number> (1,444)
84-02-6

$$$$
MK4827.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,445)
3056

>  <Formula> (1,445)
C19H20N4O

>  <MolWeight> (1,445)
320.3883

>  <Item Name> (1,445)
MK-4827(Niraparib)

>  <Catalog Number> (1,445)
S2741

>  <Synonyms> (1,445)
N/A

>  <Target> (1,445)
PARP

>  <Form> (1,445)
Free Base

>  <URL> (1,445)
http://www.selleckchem.com/products/mk-4827.html

>  <CAS Number> (1,445)
1038915-60-4

$$$$
S4729 Tamsulosin hydrochloride.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,446)
3062

>  <Formula> (1,446)
C20H29ClN2O5S

>  <MolWeight> (1,446)
444.97266

>  <Item Name> (1,446)
Tamsulosin hydrochloride

>  <Catalog Number> (1,446)
S4729

>  <Synonyms> (1,446)
Tamsulosina hydrochloride, Tamsulosinum hydrochloride

>  <Target> (1,446)
Adrenergic Receptor

>  <Form> (1,446)
hydrochloride

>  <URL> (1,446)
http://www.selleckchem.com/products/tamsulosin-hydrochloride.html

>  <CAS Number> (1,446)
106463-17-6

$$$$
S4734 Retigabine 2HCl.cdx
csChFnd80/07171813032D

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   12.5294    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> (1,447)
3080

>  <Formula> (1,447)
C16H20Cl2FN3O2

>  <MolWeight> (1,447)
376.2533032

>  <Item Name> (1,447)
Retigabine 2HCl

>  <Catalog Number> (1,447)
S4734

>  <Synonyms> (1,447)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid (2HCl), D-23129 2HCl

>  <Target> (1,447)
Potassium Channel

>  <Form> (1,447)
dihydrochloride

>  <URL> (1,447)
http://www.selleckchem.com/products/retigabine-2hcl.html

>  <CAS Number> (1,447)
150812-13-8

$$$$
S4733 Retigabine.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,448)
3085

>  <Formula> (1,448)
C16H18FN3O2

>  <MolWeight> (1,448)
303.3314232

>  <Item Name> (1,448)
Retigabine

>  <Catalog Number> (1,448)
S4733

>  <Synonyms> (1,448)
N-(2-amino-4-[fluorobenzylamino]-phenyl) carbamic acid|D-23129

>  <Target> (1,448)
Potassium Channel

>  <Form> (1,448)
Free Base

>  <URL> (1,448)
http://www.selleckchem.com/products/retigabine.html

>  <CAS Number> (1,448)
150812-12-7

$$$$
S4736 Trapidil.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,449)
3093

>  <Formula> (1,449)
C10H15N5

>  <MolWeight> (1,449)
205.2596

>  <Item Name> (1,449)
Trapidil

>  <Catalog Number> (1,449)
S4736

>  <Synonyms> (1,449)
Rocornal, Trapymin, Avantrin, Trapymine

>  <Target> (1,449)
PDGFR

>  <Form> (1,449)
Free Base

>  <URL> (1,449)
http://www.selleckchem.com/products/trapidil.html

>  <CAS Number> (1,449)
15421-84-8

$$$$
S4750 Sulfacetamide sodium salt hydrate.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,450)
3147

>  <Formula> (1,450)
C8H11N2NaO4S

>  <MolWeight> (1,450)
254.23871

>  <Item Name> (1,450)
Sulfacetamide Sodium salt hydrate

>  <Catalog Number> (1,450)
S4750

>  <Synonyms> (1,450)
N/A

>  <Target> (1,450)
Autophagy

>  <Form> (1,450)
sodium salt hyd

>  <URL> (1,450)
http://www.selleckchem.com/products/sulfacetamide-sodium-salt-hydrate.html

>  <CAS Number> (1,450)
6209-17-2

$$$$
S4749 Citalopram HBr.cdx
csChFnd80/07171813032D

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    3.6373    4.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2195    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.5485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8653    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    5.1159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9035    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2787    2.1544    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  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> (1,451)
3148

>  <Formula> (1,451)
C20H22BrFN2O

>  <MolWeight> (1,451)
405.3038832

>  <Item Name> (1,451)
Citalopram HBr

>  <Catalog Number> (1,451)
S4749

>  <Synonyms> (1,451)
Nitalapram HBr, Prepram HBr, Bonitrile HBr, Lu 10-171 HBr

>  <Target> (1,451)
5-HT Receptor

>  <Form> (1,451)
hydrobromide

>  <URL> (1,451)
http://www.selleckchem.com/products/citalopram-hbr.html

>  <CAS Number> (1,451)
59729-32-7

$$$$
S4748 Ondansetron HCl.cdx
csChFnd80/07171813032D

 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
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    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
    8.9736    2.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928    4.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4438    4.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5051    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7813    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
  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  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  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
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 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> (1,452)
3149

>  <Formula> (1,452)
C18H24ClN3O3

>  <MolWeight> (1,452)
365.85446

>  <Item Name> (1,452)
Ondansetron Hydrochloride Dihydrate

>  <Catalog Number> (1,452)
S4748

>  <Synonyms> (1,452)
N/A

>  <Target> (1,452)
5-HT Receptor

>  <Form> (1,452)
hydrochloride

>  <URL> (1,452)
http://www.selleckchem.com/products/ondansetron-hcl.html

>  <CAS Number> (1,452)
103639-04-9

$$$$
S4751 Cisapride.cdx
csChFnd80/07171813032D

 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
    2.4221    1.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    1.3992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0677    3.5029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    5.6017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    3.4962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    2.0921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2794    4.2025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0011    4.1958    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3925    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    3.5019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2794    5.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4958    6.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9210    6.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1336    5.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5568    5.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7685    6.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7685    7.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9847    5.6002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9833    8.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2016    6.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1964    7.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4081    8.4075    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9068    3.2447    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  1  0  0  0  0
 12  7  1  1  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  1  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 20  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 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (1,453)
3151

>  <Formula> (1,453)
C23H31ClFN3O5

>  <MolWeight> (1,453)
483.9607432

>  <Item Name> (1,453)
Cisapride hydrate

>  <Catalog Number> (1,453)
S4751

>  <Synonyms> (1,453)
Propulsid, Alimix, Propulsin, Enteropride, Kinestase

>  <Target> (1,453)
5-HT Receptor

>  <Form> (1,453)
hydrate

>  <URL> (1,453)
http://www.selleckchem.com/products/cisapride.html

>  <CAS Number> (1,453)
260779-88-2

$$$$
Imidapril hydrochloride.cdx
csChFnd80/07171813032D

 30 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    6.2951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0453    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    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  0  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
    7.2578    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4660    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4660    8.3854    0.0000 O   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
    4.8371    0.7000    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  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8206    4.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1900    4.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8900    5.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    6.8621    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7838    3.9669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7574    3.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2433    8.2268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2065    9.1603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5701    8.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6307    1.1302    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
  6  4  1  1  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 12 14  2  0  0  0  0
 10 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 10  1  0  0  0  0
 11 20  1  6  0  0  0
 13 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 13  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  6  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,454)
3175

>  <Formula> (1,454)
C20H28ClN3O6

>  <MolWeight> (1,454)
441.90582

>  <Item Name> (1,454)
Imidapril HCl

>  <Catalog Number> (1,454)
S2109

>  <Synonyms> (1,454)
N/A

>  <Target> (1,454)
RAAS

>  <Form> (1,454)
Hydrochloride

>  <URL> (1,454)
http://www.selleckchem.com/products/imidapril-tanatril.html

>  <CAS Number> (1,454)
89396-94-1

$$$$
S4678 Povidone iodine.cdx
csChFnd80/07171813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
    0.0756    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.4730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3409    3.2959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    4.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6677    2.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.0779    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4165    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6638    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    6.1951    2.4063    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
A   11
n
A   12
xI2
M  END
>  <Mol_ID> (1,455)
3177

>  <Formula> (1,455)
C8H15NOR2

>  <MolWeight> (1,455)
141.2108

>  <Item Name> (1,455)
Povidone iodine

>  <Catalog Number> (1,455)
S4678

>  <Synonyms> (1,455)
Betadine, PVP iodine, PVP-I, Isodine

>  <Target> (1,455)
Antifection

>  <Form> (1,455)
iodine

>  <URL> (1,455)
http://www.selleckchem.com/products/povidone-iodine.html

>  <CAS Number> (1,455)
25655-41-8

$$$$
Troglitazone (CS-045).cdx
csChFnd80/07171813032D

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Rezulin, Romglizone, Prelay, CS-045, CS045, CS 045, Romozin

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PPAR

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Free Base

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http://www.selleckchem.com/products/troglitazone-cs-045.html

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97322-87-7

$$$$
Azatadine dimaleate.cdx
csChFnd80/07171813032D

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Azatadine dimaleate

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SCH10649

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Histamine Receptor

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Dimaleate

>  <URL> (1,457)
http://www.selleckchem.com/products/azatadine-dimaleate.html

>  <CAS Number> (1,457)
3978-86-7

$$$$
Omarigliptin (MK-3102).cdx
csChFnd80/07171813032D

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>  <Formula> (1,458)
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N/A

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DPP-4

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free base
free base

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http://www.selleckchem.com/products/omarigliptin-mk-3102.html

>  <CAS Number> (1,458)
1226781-44-7

$$$$
Tirofiban Hydrochloride.cdx
csChFnd80/07171813032D

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>  <Catalog Number> (1,459)
S8594

>  <Synonyms> (1,459)
MK-383 Hydrochloride

>  <Target> (1,459)
GPIIb/IIIa

>  <Form> (1,459)
hydrochloride hydrate

>  <URL> (1,459)
http://www.selleckchem.com/products/tirofiban-hydrochlorid.html

>  <CAS Number> (1,459)
150915-40-5

$$$$
NS-187.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,460)
3237

>  <Formula> (1,460)
C30H31F3N8O

>  <MolWeight> (1,460)
576.6153496

>  <Item Name> (1,460)
Bafetinib (INNO-406)

>  <Catalog Number> (1,460)
S1369

>  <Synonyms> (1,460)
NS-187

>  <Target> (1,460)
Abl,Lyn

>  <Form> (1,460)
Free Base

>  <URL> (1,460)
http://www.selleckchem.com/products/Bafetinib.html

>  <CAS Number> (1,460)
859212-16-1

$$$$
Tofogliflozin(CSG 452).cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,461)
3253

>  <Formula> (1,461)
C22H28O7

>  <MolWeight> (1,461)
404.45352

>  <Item Name> (1,461)
Tofogliflozin(CSG 452)

>  <Catalog Number> (1,461)
S8558

>  <Synonyms> (1,461)
N/A

>  <Target> (1,461)
hSGLT2

>  <Form> (1,461)
hydrate 

>  <URL> (1,461)
http://www.selleckchem.com/products/tofogliflozin-csg-452.html

>  <CAS Number> (1,461)
1201913-82-7

$$$$
S3619 Citicoline sodium.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,462)
3292

>  <Formula> (1,462)
C14H25N4NaO11P2

>  <MolWeight> (1,462)
510.305792

>  <Item Name> (1,462)
Citicoline sodium

>  <Catalog Number> (1,462)
S3619

>  <Synonyms> (1,462)
CDP-choline

>  <Target> (1,462)
Others

>  <Form> (1,462)
sodium salt

>  <URL> (1,462)
http://www.selleckchem.com/products/citicoline-sodium.html

>  <CAS Number> (1,462)
33818-15-4

$$$$
S3697 Mafenide hydrochloride.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,463)
3297

>  <Formula> (1,463)
C7H11ClN2O2S

>  <MolWeight> (1,463)
222.69244

>  <Item Name> (1,463)
Mafenide hydrochloride

>  <Catalog Number> (1,463)
S3697

>  <Synonyms> (1,463)
4-Aminomethylbenzenesulfonamide hydrochloride

>  <Target> (1,463)
carbonic anhydrase

>  <Form> (1,463)
hydrochloride

>  <URL> (1,463)
http://www.selleckchem.com/products/mafenide-hydrochloride.html

>  <CAS Number> (1,463)
138-37-4

$$$$
S3698 Nortriptyline (hydrochloride).cdx
csChFnd80/07171813032D

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    0.0000    5.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4643    0.6978    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
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
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  8 15  2  0  0  0  0
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 10 13  1  0  0  0  0
 11 17  2  0  0  0  0
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 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (1,464)
3298

>  <Formula> (1,464)
C19H22ClN

>  <MolWeight> (1,464)
299.83768

>  <Item Name> (1,464)
Nortriptyline hydrochloride

>  <Catalog Number> (1,464)
S3698

>  <Synonyms> (1,464)
ELF-101 hydrochloride, EN-7048 hydrochloride, Desmethylamitriptyline hydrochloride

>  <Target> (1,464)
Kv channels

>  <Form> (1,464)
hydrochloride

>  <URL> (1,464)
http://www.selleckchem.com/products/nortriptyline-hydrochloride.html

>  <CAS Number> (1,464)
894-71-3

$$$$
S3701 Benactyzine hydrochloride.cdx
csChFnd80/07171813032D

 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
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    4.8498    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4903    4.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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 18 19  2  0  0  0  0
 19  2  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  3  1  0  0  0  0
  1 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,465)
3300

>  <Formula> (1,465)
C20H26ClNO3

>  <MolWeight> (1,465)
363.87834

>  <Item Name> (1,465)
Benactyzine hydrochloride

>  <Catalog Number> (1,465)
S3701

>  <Synonyms> (1,465)
N/A

>  <Target> (1,465)
AChR

>  <Form> (1,465)
hydrochloride

>  <URL> (1,465)
http://www.selleckchem.com/products/benactyzine-hydrochloride.html

>  <CAS Number> (1,465)
57-37-4

$$$$
S3687 Urea.cdx
csChFnd80/07171813032D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
M  END
>  <Mol_ID> (1,466)
3301

>  <Formula> (1,466)
CH4N2O

>  <MolWeight> (1,466)
60.05526

>  <Item Name> (1,466)
Urea

>  <Catalog Number> (1,466)
S3687

>  <Synonyms> (1,466)
Carbamide, Carbonyldiamide, Ureophil

>  <Target> (1,466)
Others

>  <Form> (1,466)
free base

>  <URL> (1,466)
http://www.selleckchem.com/products/urea.html

>  <CAS Number> (1,466)
57-13-6

$$$$
S3621 Pazufloxacin (mesylate).cdx
csChFnd80/07171813032D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8378    2.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0364    4.8392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8312    5.5201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6186    4.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6219    3.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4042    5.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1928    4.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2090    3.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3742    6.8671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8279    6.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1652    7.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    5.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6883    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0829    1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3883    2.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883    3.8263    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  1  6  1  0  0  0  0
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  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  2  0  0  0  0
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  4 13  1  0  0  0  0
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 25 28  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (1,467)
3320

>  <Formula> (1,467)
C17H19FN2O7S

>  <MolWeight> (1,467)
414.4053632

>  <Item Name> (1,467)
Pazufloxacin mesylate

>  <Catalog Number> (1,467)
S3621

>  <Synonyms> (1,467)
T-3762, Pazucross

>  <Target> (1,467)
Antifection

>  <Form> (1,467)
methanesulfonate

>  <URL> (1,467)
http://www.selleckchem.com/products/pazufloxacin-mesylate.html

>  <CAS Number> (1,467)
163680-77-1

$$$$
S3684 Methacholine chloride.cdx
csChFnd80/07171813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
    4.8497    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3725    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3725    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2746    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    3.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    1.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8978    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,468)
3329

>  <Formula> (1,468)
C8H18ClNO2

>  <MolWeight> (1,468)
195.68702

>  <Item Name> (1,468)
Methacholine chloride

>  <Catalog Number> (1,468)
S3684

>  <Synonyms> (1,468)
Mecholyl chloride, Acetyl-¦Â-methylcholine chloride

>  <Target> (1,468)
muscarinic receptor

>  <Form> (1,468)
chloride

>  <URL> (1,468)
http://www.selleckchem.com/products/methacholine-chloride.html

>  <CAS Number> (1,468)
62-51-1

$$$$
S3650 Penicillin V potassium salt.cdx
csChFnd80/07171813032D

 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
   12.6422    4.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6286    0.8965    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7248    4.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3947    3.4630    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
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  1  0  0  0
  6  7  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 24  1  0  0  0  0
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M  END
>  <Mol_ID> (1,469)
3333

>  <Formula> (1,469)
C16H17KN2O5S

>  <MolWeight> (1,469)
388.47988

>  <Item Name> (1,469)
Penicillin V potassium salt

>  <Catalog Number> (1,469)
S3650

>  <Synonyms> (1,469)
Phenoxymethylpenicillin potassium salt

>  <Target> (1,469)
Antifection

>  <Form> (1,469)
potassium salt

>  <URL> (1,469)
http://www.selleckchem.com/products/penicillin-v-potassium-salt.html

>  <CAS Number> (1,469)
132-98-9

$$$$
S3732 Avibactam sodium.cdx
csChFnd80/07171813032D

 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
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   10.9612    3.5679    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 19  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,470)
3334

>  <Formula> (1,470)
C7H10N3NaO6S

>  <MolWeight> (1,470)
287.22557

>  <Item Name> (1,470)
Avibactam sodium

>  <Catalog Number> (1,470)
S3732

>  <Synonyms> (1,470)
AVE-1330A, NXL104

>  <Target> (1,470)
 ¦Â-lactamase

>  <Form> (1,470)
sodium salt

>  <URL> (1,470)
http://www.selleckchem.com/products/avibactam-sodium.html

>  <CAS Number> (1,470)
1192491-61-4

$$$$
S3646 Thimerosal.cdx
csChFnd80/07171813032D

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    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    0.0000    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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    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0752    2.1502    0.0000 Na  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
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 12 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,471)
3336

>  <Formula> (1,471)
C9H9HgNaO2S

>  <MolWeight> (1,471)
404.81133

>  <Item Name> (1,471)
Thimerosal

>  <Catalog Number> (1,471)
S3646

>  <Synonyms> (1,471)
Thiomersalate, Mercurothiolate

>  <Target> (1,471)
Antifection

>  <Form> (1,471)
sodium salt

>  <URL> (1,471)
http://www.selleckchem.com/products/thimerosal.html

>  <CAS Number> (1,471)
54-64-8

$$$$
Chondroitin sulfate.cdx
csChFnd80/07171813032D

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    2.4249    3.5073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  4 32  1  6  0  0  0
A   33
n
M  END
>  <Mol_ID> (1,472)
3337

>  <Formula> (1,472)
C16H27NO14RS

>  <MolWeight> (1,472)
489.44888

>  <Item Name> (1,472)
Chondroitin sulfate

>  <Catalog Number> (1,472)
S2416

>  <Synonyms> (1,472)
N/A

>  <Target> (1,472)
Others

>  <Form> (1,472)
sulfate

>  <URL> (1,472)
http://www.selleckchem.com/products/chondroitin-sulfate.html

>  <CAS Number> (1,472)
9007-28-7

$$$$
S3667 Imipenem.cdx
csChFnd80/07171813032D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,473)
3344

>  <Formula> (1,473)
C12H19N3O5S

>  <MolWeight> (1,473)
317.36136

>  <Item Name> (1,473)
Imipenem

>  <Catalog Number> (1,473)
S3667

>  <Synonyms> (1,473)
N/A

>  <Target> (1,473)
AmpC ¦Â-lactamase

>  <Form> (1,473)
hydrate

>  <URL> (1,473)
http://www.selleckchem.com/products/imipenem.html

>  <CAS Number> (1,473)
74431-23-5

$$$$
S3672 Cefonicid (sodium).cdx
csChFnd80/07171813032D

 38 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,474)
3346

>  <Formula> (1,474)
C18H16N6Na2O8S3

>  <MolWeight> (1,474)
586.52958

>  <Item Name> (1,474)
Cefonicid sodium

>  <Catalog Number> (1,474)
S3672

>  <Synonyms> (1,474)
Cefonicid sodium

>  <Target> (1,474)
Antifection

>  <Form> (1,474)
disodium salt

>  <URL> (1,474)
http://www.selleckchem.com/products/cefonicid-sodium.html

>  <CAS Number> (1,474)
61270-78-8

$$$$
S3120 Doxepin hydrochloride.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,475)
3349

>  <Formula> (1,475)
C19H22ClNO

>  <MolWeight> (1,475)
315.83708

>  <Item Name> (1,475)
Doxepin hydrochloride

>  <Catalog Number> (1,475)
S3120

>  <Synonyms> (1,475)
N/A

>  <Target> (1,475)
CYP2D6

>  <Form> (1,475)
hydrochloride

>  <URL> (1,475)
http://www.selleckchem.com/products/doxepin-hydrochloride-sinequan.html

>  <CAS Number> (1,475)
1229-29-4

$$$$
S3690 Pargyline (hydrochloride).cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,476)
3352

>  <Formula> (1,476)
C11H14ClN

>  <MolWeight> (1,476)
195.68856

>  <Item Name> (1,476)
Pargyline hydrochloride

>  <Catalog Number> (1,476)
S3690

>  <Synonyms> (1,476)
Pargylamine hydrochloride

>  <Target> (1,476)
monoamine oxidase (MAO)-B

>  <Form> (1,476)
hydrochloride 

>  <URL> (1,476)
http://www.selleckchem.com/products/pargyline-hydrochloride.html

>  <CAS Number> (1,476)
306-07-0

$$$$
S3671 Quinestrol.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,477)
3356

>  <Formula> (1,477)
C25H32O2

>  <MolWeight> (1,477)
364.52038

>  <Item Name> (1,477)
Quinestrol

>  <Catalog Number> (1,477)
S3671

>  <Synonyms> (1,477)
Ethinylestradiol 3-cyclopentyl ether, EE2CPE, W-3566

>  <Target> (1,477)
Estrogen/progestogen Receptor

>  <Form> (1,477)
free base

>  <URL> (1,477)
http://www.selleckchem.com/products/quinestrol.html

>  <CAS Number> (1,477)
152-43-2

$$$$
Iopromide.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,478)
3357

>  <Formula> (1,478)
C18H24I3N3O8

>  <MolWeight> (1,478)
791.11187

>  <Item Name> (1,478)
Iopromide

>  <Catalog Number> (1,478)
S3207

>  <Synonyms> (1,478)
N/A

>  <Target> (1,478)
Others

>  <Form> (1,478)
free base

>  <URL> (1,478)
http://www.selleckchem.com/products/iopromide.html

>  <CAS Number> (1,478)
73334-07-3

$$$$
S3726 Selexipag.cdx
csChFnd80/07171813032D

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  2  9  1  0  0  0  0
M  END
>  <Mol_ID> (1,479)
3358

>  <Formula> (1,479)
C26H32N4O4S

>  <MolWeight> (1,479)
496.62168

>  <Item Name> (1,479)
Selexipag

>  <Catalog Number> (1,479)
S3726

>  <Synonyms> (1,479)
NS-304, ACT-293987

>  <Target> (1,479)
prostacyclin IP receptor

>  <Form> (1,479)
free base

>  <URL> (1,479)
http://www.selleckchem.com/products/selexipag.html

>  <CAS Number> (1,479)
475086-01-2

$$$$
S3728 Grazoprevir.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,480)
3359

>  <Formula> (1,480)
C38H50N6O9S

>  <MolWeight> (1,480)
766.9034

>  <Item Name> (1,480)
Grazoprevir

>  <Catalog Number> (1,480)
S3728

>  <Synonyms> (1,480)
MK5172

>  <Target> (1,480)
Hepatitis C Virus NS3/4A Protease

>  <Form> (1,480)
free base

>  <URL> (1,480)
http://www.selleckchem.com/products/grazoprevir.html

>  <CAS Number> (1,480)
1350514-68-9

$$$$
S3731 Tipiracil hydrochloride.cdx
csChFnd80/07171813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,481)
3361

>  <Formula> (1,481)
C9H12Cl2N4O2

>  <MolWeight> (1,481)
279.12318

>  <Item Name> (1,481)
Tipiracil hydrochloride

>  <Catalog Number> (1,481)
S3731

>  <Synonyms> (1,481)
MA-1 hydrochloride

>  <Target> (1,481)
thymidine phosphorylase

>  <Form> (1,481)
hydrochloride

>  <URL> (1,481)
http://www.selleckchem.com/products/tipiracil-hydrochloride.html

>  <CAS Number> (1,481)
183204-72-0

$$$$
S3635 Medroxyprogesterone.cdx
csChFnd80/07171813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,482)
3362

>  <Formula> (1,482)
C22H32O3

>  <MolWeight> (1,482)
344.48768

>  <Item Name> (1,482)
Medroxyprogesterone

>  <Catalog Number> (1,482)
S3635

>  <Synonyms> (1,482)
MP

>  <Target> (1,482)
progesterone receptor

>  <Form> (1,482)
free base

>  <URL> (1,482)
http://www.selleckchem.com/products/medroxyprogesterone.html

>  <CAS Number> (1,482)
520-85-4

$$$$
S3636 Cefadroxil (hydrate).cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,483)
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>  <Formula> (1,483)
C16H19N3O6S

>  <MolWeight> (1,483)
381.40356

>  <Item Name> (1,483)
Cefadroxil hydrate

>  <Catalog Number> (1,483)
S3636

>  <Synonyms> (1,483)
N/A

>  <Target> (1,483)
Antifection

>  <Form> (1,483)
hydrate

>  <URL> (1,483)
http://www.selleckchem.com/products/cefadroxil-hydrate.html

>  <CAS Number> (1,483)
66592-87-8

$$$$
S3637 Cefpirome (sulfate).cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,484)
3364

>  <Formula> (1,484)
C22H24N6O9S3

>  <MolWeight> (1,484)
612.65576

>  <Item Name> (1,484)
Cefpirome sulfate

>  <Catalog Number> (1,484)
S3637

>  <Synonyms> (1,484)
N/A

>  <Target> (1,484)
Antifection

>  <Form> (1,484)
sulfate

>  <URL> (1,484)
http://www.selleckchem.com/products/cefpirome-sulfate.html

>  <CAS Number> (1,484)
98753-19-6

$$$$
S3638 Cefamandole (nafate).cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,485)
3365

>  <Formula> (1,485)
C19H17N6NaO6S2

>  <MolWeight> (1,485)
512.49465

>  <Catalog Number> (1,485)
S3638

>  <Synonyms> (1,485)
N/A

>  <Target> (1,485)
penicillin-binding proteins

>  <Form> (1,485)
sodium salt

>  <URL> (1,485)
http://www.selleckchem.com/products/cefamandole-nafate.html

>  <CAS Number> (1,485)
42540-40-9

$$$$
S3640 Methoxyphenamine (Hydrochloride).cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,486)
3366

>  <Formula> (1,486)
C11H18ClNO

>  <MolWeight> (1,486)
215.71972

>  <Item Name> (1,486)
Methoxyphenamine Hydrochloride

>  <Catalog Number> (1,486)
S3640

>  <Synonyms> (1,486)
2-methoxy-N-methylamphetamine Hydrochloride, OMMA Hydrochloride

>  <Target> (1,486)
 ¦Â-adrenergic receptor

>  <Form> (1,486)
hydrochloride

>  <URL> (1,486)
http://www.selleckchem.com/products/methoxyphenamine-hydrochloride.html

>  <CAS Number> (1,486)
5588-10-3

$$$$
S3647 Mafenide (Acetate).cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,487)
3369

>  <Formula> (1,487)
C9H14N2O4S

>  <MolWeight> (1,487)
246.28346

>  <Item Name> (1,487)
Mafenide Acetate

>  <Catalog Number> (1,487)
S3647

>  <Synonyms> (1,487)
N/A

>  <Target> (1,487)
carbonic anhydrase

>  <Form> (1,487)
acetate

>  <URL> (1,487)
http://www.selleckchem.com/products/mafenide-acetate.html

>  <CAS Number> (1,487)
13009-99-9

$$$$
S3648 Amlexanox.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,488)
3370

>  <Formula> (1,488)
C16H14N2O4

>  <MolWeight> (1,488)
298.29336

>  <Item Name> (1,488)
Amlexanox

>  <Catalog Number> (1,488)
S3648

>  <Synonyms> (1,488)
AA-673, CHX-3673

>  <Target> (1,488)
TBK1,IKK-¦Å

>  <Form> (1,488)
free base

>  <URL> (1,488)
http://www.selleckchem.com/products/amlexanox.html

>  <CAS Number> (1,488)
68302-57-8

$$$$
S3649 Ceftazidime.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,489)
3371

>  <Formula> (1,489)
C22H22N6O7S2

>  <MolWeight> (1,489)
546.57608

>  <Item Name> (1,489)
Ceftazidime

>  <Catalog Number> (1,489)
S3649

>  <Synonyms> (1,489)
N/A

>  <Target> (1,489)
Antifection

>  <Form> (1,489)
inner salt

>  <URL> (1,489)
http://www.selleckchem.com/products/ceftazidime.html

>  <CAS Number> (1,489)
72558-82-8

$$$$
S3727 Vilanterol Trifenate.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,490)
3373

>  <Formula> (1,490)
C44H49Cl2NO7

>  <MolWeight> (1,490)
774.76836

>  <Item Name> (1,490)
Vilanterol Trifenate

>  <Catalog Number> (1,490)
S3727

>  <Synonyms> (1,490)
GW642444M Trifenate

>  <Target> (1,490)
¦Â2-adrenoceptor

>  <Form> (1,490)
trifenatate

>  <URL> (1,490)
http://www.selleckchem.com/products/vilanterol-trifenate.html

>  <CAS Number> (1,490)
503070-58-4

$$$$
S3655 Cefepime (Dihydrochloride Monohydrate).cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,491)
3374

>  <Formula> (1,491)
C19H28Cl2N6O6S2

>  <MolWeight> (1,491)
571.49822

>  <Item Name> (1,491)
Cefepime Dihydrochloride Monohydrate

>  <Catalog Number> (1,491)
S3655

>  <Synonyms> (1,491)
N/A

>  <Target> (1,491)
Antifection

>  <Form> (1,491)
dihydrochloride hydrate

>  <URL> (1,491)
http://www.selleckchem.com/products/cefepime-dihydrochloride-monohydrate.html

>  <CAS Number> (1,491)
123171-59-5

$$$$
S3659 Fludrocortisone (acetate).cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,492)
3378

>  <Formula> (1,492)
C23H31FO6

>  <MolWeight> (1,492)
422.4870432

>  <Item Name> (1,492)
Fludrocortisone acetate

>  <Catalog Number> (1,492)
S3659

>  <Synonyms> (1,492)
9¦Á-fluorocortisol acetate

>  <Target> (1,492)
others

>  <Form> (1,492)
free base

>  <URL> (1,492)
http://www.selleckchem.com/products/fludrocortisone-acetate.html

>  <CAS Number> (1,492)
514-36-3

$$$$
S3662 Pirenzepine (dihydrochloride).cdx
csChFnd80/07171813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,493)
3379

>  <Formula> (1,493)
C19H23Cl2N5O2

>  <MolWeight> (1,493)
424.32422

>  <Item Name> (1,493)
Pirenzepine dihydrochloride

>  <Catalog Number> (1,493)
S3662

>  <Synonyms> (1,493)
N/A

>  <Target> (1,493)
AChR

>  <Form> (1,493)
dihydrochloride

>  <URL> (1,493)
http://www.selleckchem.com/products/pirenzepine-dihydrochlori

>  <CAS Number> (1,493)
29868-97-1

$$$$
S3663 Afloqualone.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,494)
3380

>  <Formula> (1,494)
C16H14FN3O

>  <MolWeight> (1,494)
283.3002632

>  <Item Name> (1,494)
Afloqualone

>  <Catalog Number> (1,494)
S3663

>  <Synonyms> (1,494)
HQ-495

>  <Target> (1,494)
GABAA ¦Â receptor

>  <Form> (1,494)
free base

>  <URL> (1,494)
http://www.selleckchem.com/products/afloqualone.html

>  <CAS Number> (1,494)
56287-74-2

$$$$
S3673 Sulfaphenazole.cdx
csChFnd80/07171813032D

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    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
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 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
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M  END
>  <Mol_ID> (1,495)
3381

>  <Formula> (1,495)
C15H14N4O2S

>  <MolWeight> (1,495)
314.36226

>  <Item Name> (1,495)
Sulfaphenazole

>  <Catalog Number> (1,495)
S3673

>  <Synonyms> (1,495)
Depocid, Depotsulfonamide, Plisulfan, Raziosulfa

>  <Target> (1,495)
CYP2C9

>  <Form> (1,495)
free base

>  <URL> (1,495)
http://www.selleckchem.com/products/sulfaphenazole.html

>  <CAS Number> (1,495)
526-08-9

$$$$
S3742 Cholic acid.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,496)
3383

>  <Formula> (1,496)
C24H40O5

>  <MolWeight> (1,496)
408.5714

>  <Item Name> (1,496)
Cholic acid

>  <Catalog Number> (1,496)
S3742

>  <Synonyms> (1,496)
N/A

>  <Target> (1,496)
Others

>  <Form> (1,496)
free base

>  <URL> (1,496)
http://www.selleckchem.com/products/cholic-acid.html

>  <CAS Number> (1,496)
81-25-4

$$$$
S3669 Carmustine.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,497)
3386

>  <Formula> (1,497)
C5H9Cl2N3O2

>  <MolWeight> (1,497)
214.04986

>  <Item Name> (1,497)
Carmustine

>  <Catalog Number> (1,497)
S3669

>  <Synonyms> (1,497)
bis-chloroethylnitrosourea, BCNU, BiCNU|

>  <Target> (1,497)
Others

>  <Form> (1,497)
free base

>  <URL> (1,497)
http://www.selleckchem.com/products/carmustine.html

>  <CAS Number> (1,497)
154-93-8

$$$$
S3711 Carbasalate Calcium.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,498)
3387

>  <Formula> (1,498)
C19H18CaN2O9

>  <MolWeight> (1,498)
458.43222

>  <Item Name> (1,498)
Carbasalate Calcium

>  <Catalog Number> (1,498)
S3711

>  <Synonyms> (1,498)
Iromin, Alcacyl, Omegin, Rheomin, Solupsan

>  <Target> (1,498)
platelet aggregation

>  <Form> (1,498)
calcium salt

>  <URL> (1,498)
http://www.selleckchem.com/products/carbasalate-calcium.html

>  <CAS Number> (1,498)
5749-67-7

$$$$
S3737 Cangrelor Tetrasodium.cdx
csChFnd80/07171813032D

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M  CFW  16 BOND_GSTEREO 5
M  CFW  17 BOND_GSTEREO 5
M  END
>  <Mol_ID> (1,499)
3388

>  <Formula> (1,499)
C17H21Cl2F3N5Na4O12P3S2

>  <MolWeight> (1,499)
864.2865126

>  <Item Name> (1,499)
Cangrelor Tetrasodium

>  <Catalog Number> (1,499)
S3737

>  <Synonyms> (1,499)
AR-C69931MX

>  <Target> (1,499)
P2Y12 receptor

>  <Form> (1,499)
tetrasodium salt

>  <URL> (1,499)
http://www.selleckchem.com/products/cangrelor-tetrasodium.html

>  <CAS Number> (1,499)
163706-36-3

$$$$
S3743 Oxiglutatione.cdx
csChFnd80/07171813032D

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Oxiglutatione

>  <Catalog Number> (1,500)
S3743

>  <Synonyms> (1,500)
Oxidized glutathione, Glutathione disulfide, GSSG, Bi(glutathion-S-yl)

>  <Target> (1,500)
Others

>  <Form> (1,500)
free base

>  <URL> (1,500)
http://www.selleckchem.com/products/oxiglutatione.html

>  <CAS Number> (1,500)
27025-41-8

$$$$
S3717 Testosterone Enanthate.cdx
csChFnd80/07171813032D

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>  <Formula> (1,501)
C26H40O3

>  <MolWeight> (1,501)
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>  <Item Name> (1,501)
Testosterone Enanthate

>  <Catalog Number> (1,501)
S3717

>  <Synonyms> (1,501)
Testosterone heptanoate, NSC-17591

>  <Target> (1,501)
androgen receptor

>  <Form> (1,501)
free base

>  <URL> (1,501)
http://www.selleckchem.com/products/testosterone-enanthate.html

>  <CAS Number> (1,501)
315-37-7

$$$$
S3714 Lifitegrast.cdx
csChFnd80/07171813032D

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3393

>  <Formula> (1,502)
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>  <MolWeight> (1,502)
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>  <Item Name> (1,502)
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>  <Catalog Number> (1,502)
S3714

>  <Synonyms> (1,502)
SAR1118

>  <Target> (1,502)
Integrin

>  <Form> (1,502)
free base

>  <URL> (1,502)
http://www.selleckchem.com/products/lifitegrast.html

>  <CAS Number> (1,502)
1025967-78-5

$$$$
S3718 Leuprolide Acetate.cdx
csChFnd80/07171813032D

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S3718

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Leuprorelin Acetate

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GnRHR

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acetate

>  <URL> (1,503)
http://www.selleckchem.com/products/leuprolide-acetate.html

>  <CAS Number> (1,503)
74381-53-6

$$$$
S3719 Topiroxostat.cdx
csChFnd80/07171813032D

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3395

>  <Formula> (1,504)
C13H8N6

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Topiroxostat

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S3719

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N/A

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XOR

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free base

>  <URL> (1,504)
http://www.selleckchem.com/products/topiroxostat.html

>  <CAS Number> (1,504)
577778-58-6

$$$$
S3721 Bilastine.cdx
csChFnd80/07171813032D

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>  <Formula> (1,505)
C28H37N3O3

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>  <Item Name> (1,505)
Bilastine

>  <Catalog Number> (1,505)
S3721

>  <Synonyms> (1,505)
N/A

>  <Target> (1,505)
H1 receptor

>  <Form> (1,505)
free base

>  <URL> (1,505)
http://www.selleckchem.com/products/bilastine.html

>  <CAS Number> (1,505)
202189-78-4

$$$$
S3722 Isavuconazole.cdx
csChFnd80/07171813032D

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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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  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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 16 15  1  0  0  0  0
 11  5  1  0  0  0  0
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 31 27  2  0  0  0  0
M  END
>  <Mol_ID> (1,506)
3398

>  <Formula> (1,506)
C22H17F2N5OS

>  <MolWeight> (1,506)
437.4650864

>  <Item Name> (1,506)
Isavuconazole

>  <Catalog Number> (1,506)
S3722

>  <Synonyms> (1,506)
BAL-4815, RO-0094815

>  <Target> (1,506)
Antifection

>  <Form> (1,506)
free base

>  <URL> (1,506)
http://www.selleckchem.com/products/isavuconazole.html

>  <CAS Number> (1,506)
241479-67-4

$$$$
S3723 Ramosetron  Hydrochloride.cdx
csChFnd80/07171813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    2.7486    2.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8973    4.4100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4485    3.2286    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
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
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M  END
>  <Mol_ID> (1,507)
3399

>  <Formula> (1,507)
C17H18ClN3O

>  <MolWeight> (1,507)
315.79732

>  <Item Name> (1,507)
Ramosetron Hydrochloride

>  <Catalog Number> (1,507)
S3723

>  <Synonyms> (1,507)
YM-060

>  <Target> (1,507)
5-HT3 receptor

>  <Form> (1,507)
hydrochloride

>  <URL> (1,507)
http://www.selleckchem.com/products/ramosetron-hydrochloride.html

>  <CAS Number> (1,507)
132907-72-3

$$$$
S3724 Velpatasvir.cdx
csChFnd80/07171813032D

 65 73  0  0  0  0  0  0  0  0999 V2000
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    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
    4.8497   10.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.8239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.2239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,508)
3400

>  <Formula> (1,508)
C49H54N8O8

>  <MolWeight> (1,508)
883.00186

>  <Item Name> (1,508)
Velpatasvir

>  <Catalog Number> (1,508)
S3724

>  <Synonyms> (1,508)
GS-5816

>  <Target> (1,508)
NS5A

>  <Form> (1,508)
free base

>  <URL> (1,508)
http://www.selleckchem.com/products/velpatasvir.html

>  <CAS Number> (1,508)
1377049-84-7

$$$$
S3735 Umeclidinium bromide.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,509)
3401

>  <Formula> (1,509)
C29H34BrNO2

>  <MolWeight> (1,509)
508.48976

>  <Item Name> (1,509)
Umeclidinium bromide

>  <Catalog Number> (1,509)
S3735

>  <Synonyms> (1,509)
N/A

>  <Target> (1,509)
mAChR

>  <Form> (1,509)
bromide

>  <URL> (1,509)
http://www.selleckchem.com/products/umeclidinium-bromide.html

>  <CAS Number> (1,509)
869113-09-7

$$$$
S3745 Balsalazide disodium.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,510)
3404

>  <Formula> (1,510)
C17H17N3Na2O8

>  <MolWeight> (1,510)
437.31172

>  <Item Name> (1,510)
Balsalazide disodium

>  <Catalog Number> (1,510)
S3745

>  <Synonyms> (1,510)
N/A

>  <Target> (1,510)
Immunology & Inflammation related

>  <Form> (1,510)
disodium salt dihydrate

>  <URL> (1,510)
http://www.selleckchem.com/products/balsalazide-disodium.html

>  <CAS Number> (1,510)
150399-21-6

$$$$
S3746 Lumefantrine.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,511)
3405

>  <Formula> (1,511)
C30H32Cl3NO

>  <MolWeight> (1,511)
528.94018

>  <Item Name> (1,511)
Lumefantrine

>  <Catalog Number> (1,511)
S3746

>  <Synonyms> (1,511)
benflumetol

>  <Target> (1,511)
Antifection

>  <Form> (1,511)
free base

>  <URL> (1,511)
http://www.selleckchem.com/products/lumefantrine.html

>  <CAS Number> (1,511)
82186-77-4

$$$$
S3706 Sarpogrelate hydrochloride.cdx
csChFnd80/07171813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,512)
3409

>  <Formula> (1,512)
C24H32ClNO6

>  <MolWeight> (1,512)
465.96698

>  <Item Name> (1,512)
Sarpogrelate hydrochloride

>  <Catalog Number> (1,512)
S3706

>  <Synonyms> (1,512)
MCI-9042

>  <Target> (1,512)
5-HT2A, 5-HT2C, 5-HT2B

>  <Form> (1,512)
hydrochloride

>  <URL> (1,512)
http://www.selleckchem.com/products/sarpogrelate-hydrochloride.html

>  <CAS Number> (1,512)
135159-51-2

$$$$
S3716 Flibanserin.cdx
csChFnd80/07171813032D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,513)
3413

>  <Formula> (1,513)
C20H21F3N4O

>  <MolWeight> (1,513)
390.4021496

>  <Item Name> (1,513)
Flibanserin

>  <Catalog Number> (1,513)
S3716

>  <Synonyms> (1,513)
BIMT-17, BIMT-17-BS

>  <Target> (1,513)
5-HT1A receptor.D4 receptor,5-HT2A receptor

>  <Form> (1,513)
free base

>  <URL> (1,513)
http://www.selleckchem.com/products/flibanserin.html

>  <CAS Number> (1,513)
167933-07-5

$$$$
S3739 Calcipotriene.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,514)
3417

>  <Formula> (1,514)
C27H40O3

>  <MolWeight> (1,514)
412.6047

>  <Item Name> (1,514)
Calcipotriene

>  <Catalog Number> (1,514)
S3739

>  <Synonyms> (1,514)
Calcipotriol

>  <Target> (1,514)
Others

>  <Form> (1,514)
free base

>  <URL> (1,514)
http://www.selleckchem.com/products/calcipotriene.html

>  <CAS Number> (1,514)
112965-21-6

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/07171813032D

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  5 10  1  1  0  0  0
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  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (1,515)
3422

>  <Formula> (1,515)
C6H14ClNO5

>  <MolWeight> (1,515)
215.63206

>  <Item Name> (1,515)
Glucosamine hydrochloride

>  <Catalog Number> (1,515)
S3694

>  <Synonyms> (1,515)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (1,515)
Others

>  <Form> (1,515)
hydrochloride

>  <URL> (1,515)
http://www.selleckchem.com/products/glucosamine-hydrochloride.html

>  <CAS Number> (1,515)
66-84-2

$$$$
S3738 Travoprost.cdx
csChFnd80/07171813032D

 35 36  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,516)
3423

>  <Formula> (1,516)
C26H35F3O6

>  <MolWeight> (1,516)
500.5477096

>  <Item Name> (1,516)
Travoprost

>  <Catalog Number> (1,516)
S3738

>  <Synonyms> (1,516)
Travoprostum

>  <Target> (1,516)
 Prostaglandin F receptor

>  <Form> (1,516)
free base

>  <URL> (1,516)
http://www.selleckchem.com/products/travoprost.html

>  <CAS Number> (1,516)
157283-68-6

$$$$
Boceprevir (SCH 503034).cdx
csChFnd80/07171813032D

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    0.5694    2.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    3.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2858    9.6243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6673    2.8619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0949    0.8829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
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  2  7  1  1  0  0  0
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  3 12  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  2  0  0  0  0
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 29 37  1  0  0  0  0
  9 27  1  0  0  0  0
  1 38  1  1  0  0  0
  5 39  1  1  0  0  0
M  END
>  <Mol_ID> (1,517)
3424

>  <Formula> (1,517)
C27H45N5O5

>  <MolWeight> (1,517)
519.6767

>  <Item Name> (1,517)
Boceprevir

>  <Catalog Number> (1,517)
S3733

>  <Synonyms> (1,517)
N/A

>  <Target> (1,517)
hepatitis C virus (HCV) protease

>  <Form> (1,517)
free base

>  <URL> (1,517)
http://www.selleckchem.com/products/boceprevir.html

>  <CAS Number> (1,517)
394730-60-0

$$$$
S3750 Sodium benzoate.cdx
csChFnd80/07171813032D

 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> (1,518)
3427

>  <Formula> (1,518)
C7H5NaO2

>  <MolWeight> (1,518)
144.10317

>  <Item Name> (1,518)
Sodium benzoate

>  <Catalog Number> (1,518)
S3750

>  <Synonyms> (1,518)
Benzoic acid sodium salt

>  <Target> (1,518)
Antifection

>  <Form> (1,518)
sodium salt

>  <URL> (1,518)
http://www.selleckchem.com/products/sodium-benzoate.html

>  <CAS Number> (1,518)
532-32-1

$$$$
S3730 Metaxalone.cdx
csChFnd80/07171813032D

 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> (1,519)
3430

>  <Formula> (1,519)
C12H15NO3

>  <MolWeight> (1,519)
221.2524

>  <Item Name> (1,519)
Metaxalone

>  <Catalog Number> (1,519)
S3730

>  <Synonyms> (1,519)
Skelaxin, Methaxalonum, Zorane

>  <Target> (1,519)
Others

>  <Form> (1,519)
free base

>  <URL> (1,519)
http://www.selleckchem.com/products/metaxalone.html

>  <CAS Number> (1,519)
1665-48-1

$$$$
S3747 Levothyroxine sodium.cdx
csChFnd80/07171813032D

 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> (1,520)
3431

>  <Formula> (1,520)
C15H10I4NNaO4

>  <MolWeight> (1,520)
798.85185

>  <Item Name> (1,520)
Levothyroxine sodium

>  <Catalog Number> (1,520)
S3747

>  <Synonyms> (1,520)
L-T4 sodium, L-Thyroxine sodium, LT4 sodium

>  <Target> (1,520)
Thyroid hormone receptor

>  <Form> (1,520)
sodium salt

>  <URL> (1,520)
http://www.selleckchem.com/products/levothyroxine-sodium.html

>  <CAS Number> (1,520)
55-03-8

$$$$
S3729 Iron sucrose.cdx
csChFnd80/07171813032D

 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> (1,521)
3435

>  <Formula> (1,521)
C18H24Fe2O24

>  <MolWeight> (1,521)
736.05876

>  <Item Name> (1,521)
Iron sucrose

>  <Catalog Number> (1,521)
S3729

>  <Synonyms> (1,521)
Iron saccharate, Sucroferric oxyhydroxide

>  <Target> (1,521)
Others

>  <Form> (1,521)
Iron saccharate

>  <URL> (1,521)
http://www.selleckchem.com/products/iron-sucrose.html

>  <CAS Number> (1,521)
8047-67-4

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/07171813032D

 17 17  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    2.4488    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
    9.8097    0.9175    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  5 14  2  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
A   16
?xHCl?
A   17
?xH2O?
M  END
>  <Mol_ID> (1,522)
3437

>  <Formula> (1,522)
C13H14N2R2

>  <MolWeight> (1,522)
198.26366

>  <Item Name> (1,522)
Tacrine hydrochloride hydrate

>  <Catalog Number> (1,522)
S3639

>  <Synonyms> (1,522)
Tacrine, Tetrahydroaminacrine, Tetrahydroaminoacridine

>  <Target> (1,522)
cholinesterase

>  <Form> (1,522)
hydrochloride hydrate

>  <URL> (1,522)
http://www.selleckchem.com/products/tacrine-hydrochloride-hydrate.html

>  <CAS Number> (1,522)
206658-92-6

$$$$
S3736 Fondaparinux Sodium.cdx
csChFnd80/07171813032D

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
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   15.8248    5.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9223    9.0303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.0772    5.1808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 17101  2  0  0  0  0
M  END
>  <Mol_ID> (1,523)
3438

>  <Formula> (1,523)
C31H43N3Na10O49S8

>  <MolWeight> (1,523)
1728.08152

>  <Item Name> (1,523)
Fondaparinux Sodium

>  <Catalog Number> (1,523)
S3736

>  <Synonyms> (1,523)
Natural heparin pentasaccharide Sodium

>  <Target> (1,523)
Factor Xa

>  <Form> (1,523)
decasodium salt

>  <URL> (1,523)
http://www.selleckchem.com/products/fondaparinux-sodium.html

>  <CAS Number> (1,523)
114870-03-0

$$$$
S3751 Quinidine sulfate.cdx
csChFnd80/07171813032D

 59 62  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,524)
3439

>  <Formula> (1,524)
C40H54N4O10S

>  <MolWeight> (1,524)
782.94256

>  <Item Name> (1,524)
Quinidine sulfate

>  <Catalog Number> (1,524)
S3751

>  <Synonyms> (1,524)
Chinidin Sodium, Pitayine Sodium, ¦Â-quinine Sodium, (+)-quinidine Sodium

>  <Target> (1,524)
sodium channels

>  <Form> (1,524)
sulfate dihydrate

>  <URL> (1,524)
http://www.selleckchem.com/products/quinidine-sulfate.html

>  <CAS Number> (1,524)
6591-63-5

$$$$
S3664 Flupenthixol dihydrochloride.cdx
csChFnd80/07171813032D

 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
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M  END
>  <Mol_ID> (1,525)
3440

>  <Formula> (1,525)
C23H27Cl2F3N2OS

>  <MolWeight> (1,525)
507.4394896

>  <Item Name> (1,525)
Flupenthixol dihydrochloride

>  <Catalog Number> (1,525)
S3664

>  <Synonyms> (1,525)
N/A

>  <Target> (1,525)
dopamine receptors

>  <Form> (1,525)
dihydrochloride

>  <URL> (1,525)
http://www.selleckchem.com/products/flupenthixol-dihydrochloride.html

>  <CAS Number> (1,525)
51529-01-2

$$$$
S3741 Benznidazole.cdx
csChFnd80/07171813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    2.9726    1.7626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    2.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1850    2.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3621    3.6202    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.5043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    1.7725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521    4.6102    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.6010    2.4772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3804    0.3820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2352    1.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4482    2.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4479    3.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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  3  7  2  0  0  0  0
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  5  7  1  0  0  0  0
  6  9  2  0  0  0  0
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  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,526)
3441

>  <Formula> (1,526)
C12H12N4O3

>  <MolWeight> (1,526)
260.24868

>  <Item Name> (1,526)
Benznidazole

>  <Catalog Number> (1,526)
S3741

>  <Synonyms> (1,526)
Radanil

>  <Target> (1,526)
Antifection

>  <Form> (1,526)
free base

>  <URL> (1,526)
http://www.selleckchem.com/products/benznidazole.html

>  <CAS Number> (1,526)
22994-85-0

$$$$
S3748 Acamprosate Calcium.cdx
csChFnd80/07171813032D

 12 10  0  0  0  0  0  0  0  0999 V2000
    7.2632    1.3510    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4523    2.0503    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8279    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1701    2.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    3.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
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  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
A   12
?0.5Ca2+?
M  END
>  <Mol_ID> (1,527)
3442

>  <Formula> (1,527)
C5H10NO4RS-

>  <MolWeight> (1,527)
180.2022

>  <Item Name> (1,527)
Acamprosate CalciuM

>  <Catalog Number> (1,527)
S3748

>  <Synonyms> (1,527)
N-Acetylhomotaurine Calcium, calcium acetylhomotaurinate

>  <Target> (1,527)
GABA Receptor

>  <Form> (1,527)
calcium salt

>  <URL> (1,527)
http://www.selleckchem.com/products/acamprosate-calcium.html

>  <CAS Number> (1,527)
77337-73-6

$$$$
Colchicine.cdx
csChFnd80/07171813032D

 30 32  0  0  0  0  0  0  0  0999 V2000
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    7.9082    0.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6289    1.5729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  7 12  2  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  8  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
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 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
  9 30  1  1  0  0  0
M  END
>  <Mol_ID> (1,528)
3444

>  <Formula> (1,528)
C22H25NO6

>  <MolWeight> (1,528)
399.437

>  <Item Name> (1,528)
Colchicine

>  <Catalog Number> (1,528)
S2284

>  <Synonyms> (1,528)
Colchineos, Colchisol, Colcin

>  <Target> (1,528)
Microtubule Associated inhibitor 

>  <Form> (1,528)
free base

>  <URL> (1,528)
http://www.selleckchem.com/products/colchicine.html

>  <CAS Number> (1,528)
64-86-8

$$$$
octocrylene.cdx
csChFnd80/07171813032D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.1000    2.4249    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
    4.2000    1.2124    0.0000 O   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    3.6373    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 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
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1024    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    6.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7024    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5927    6.0511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    3.6331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0854    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1781    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5733    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0854    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    1.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  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
  6 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
  5 17  1  0  0  0  0
  4 18  1  0  0  0  0
 17 19  3  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  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,529)
3447

>  <Formula> (1,529)
C24H27NO2

>  <MolWeight> (1,529)
361.47668

>  <Item Name> (1,529)
Octocrylene

>  <Catalog Number> (1,529)
S1750

>  <Synonyms> (1,529)
N/A

>  <Target> (1,529)
Others

>  <Form> (1,529)
free base

>  <URL> (1,529)
http://www.selleckchem.com/products/octocrylene.html

>  <CAS Number> (1,529)
6197-30-4

$$$$
S3944 Valproic acid.cdx
csChFnd80/07171813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,530)
3486

>  <Formula> (1,530)
C8H16O2

>  <MolWeight> (1,530)
144.21144

>  <Item Name> (1,530)
Valproic acid

>  <Catalog Number> (1,530)
S3944

>  <Synonyms> (1,530)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (1,530)
HDAC1

>  <Form> (1,530)
free base

>  <URL> (1,530)
http://www.selleckchem.com/products/valproic-acid.html

>  <CAS Number> (1,530)
99-66-1

$$$$
S3756 Methyl salicylate.cdx
csChFnd80/07171813032D

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4046    2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6037    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1786    2.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4046    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5868    0.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8161    2.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1702    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1956    4.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6204    4.9194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3931    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
>  <Mol_ID> (1,531)
3500

>  <Formula> (1,531)
C8H8O3

>  <MolWeight> (1,531)
152.14732

>  <Item Name> (1,531)
Methyl salicylate

>  <Catalog Number> (1,531)
S3756

>  <Synonyms> (1,531)
2-Carbomethoxyphenol, Betula oil, Gaultheria oil, Methyl 2-hydroxybenzoate, Natural wintergreen oil

>  <Target> (1,531)
TRPA1,TRPV1

>  <Form> (1,531)
free base

>  <URL> (1,531)
http://www.selleckchem.com/products/methyl-salicylate.html

>  <CAS Number> (1,531)
119-36-8

$$$$
S3968 Histamine.cdx
csChFnd80/07171813032D

  8  8  0  0  0  0  0  0  0  0999 V2000
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,532)
3528

>  <Formula> (1,532)
C5H9N3

>  <MolWeight> (1,532)
111.14506

>  <Item Name> (1,532)
Histamine

>  <Catalog Number> (1,532)
S3968

>  <Synonyms> (1,532)
N/A

>  <Target> (1,532)
Histamine receptor

>  <Form> (1,532)
free base

>  <URL> (1,532)
http://www.selleckchem.com/products/histamine.html

>  <CAS Number> (1,532)
51-45-6

$$$$
S3755 Betaine.cdx
csChFnd80/07171813032D

  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> (1,533)
3565

>  <Formula> (1,533)
C5H11NO2

>  <MolWeight> (1,533)
117.14634

>  <Item Name> (1,533)
Betaine

>  <Catalog Number> (1,533)
S3755

>  <Synonyms> (1,533)
trimethylglycine, glycine betaine, lycine, oxyneurine

>  <Target> (1,533)
Others

>  <Form> (1,533)
inner salt

>  <URL> (1,533)
http://www.selleckchem.com/products/betaine.html

>  <CAS Number> (1,533)
107-43-7

$$$$
S3945 L-Cycloserine.cdx
csChFnd80/07171813032D

  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> (1,534)
3581

>  <Formula> (1,534)
C3H6N2O2

>  <MolWeight> (1,534)
102.09194

>  <Item Name> (1,534)
L-Cycloserine

>  <Catalog Number> (1,534)
S3945

>  <Synonyms> (1,534)
Levcycloserine, Levcicloserina, Levcycloserinum, (-)-Cycloserine, (S)-Cycloserine

>  <Target> (1,534)
3-ketodihydrosphingosine synthetase

>  <Form> (1,534)
free base

>  <URL> (1,534)
http://www.selleckchem.com/products/l-cycloserine.html

>  <CAS Number> (1,534)
339-72-0

$$$$
S3891 Vincamine.cdx
csChFnd80/07171813032D

 27 31  0  0  0  0  0  0  0  0999 V2000
    5.0498    4.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1657    3.0634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4215    3.8093    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6096    5.4028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    1.7320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7213    3.7256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8690    2.5287    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3382    4.8681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119    6.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9521    1.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2270    1.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5660    0.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    3.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2370    2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3201    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799    6.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062    4.6060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    6.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7286    0.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3539    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1683    3.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6991    0.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    5.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3534    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0249    5.1045    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  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  1  0  0  0  0
  3 27  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  6  0  0  0
  5 13  1  1  0  0  0
  6 14  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  6  0  0  0
  7 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  2  0  0  0  0
 10 17  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  2  0  0  0  0
 14 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 18 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (1,535)
3593

>  <Formula> (1,535)
C21H26N2O3

>  <MolWeight> (1,535)
354.44274

>  <Item Name> (1,535)
Vincamine

>  <Catalog Number> (1,535)
S3891

>  <Synonyms> (1,535)
Angiopac, Devincan, Equipur, Minorin, Novicet, Oxybral, Perval, Sostenil, Tripervan

>  <Target> (1,535)
Others

>  <Form> (1,535)
free base

>  <URL> (1,535)
http://www.selleckchem.com/products/vincamine.html

>  <CAS Number> (1,535)
1617-90-9

$$$$
S3681.cdx
csChFnd80/07171813032D

 34 35  0  0  0  0  0  0  0  0999 V2000
    6.1163    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1163    3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    1.4168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307    4.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354    2.1301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6876    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6876    3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9116    5.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354    3.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7404    2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5354    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9258    2.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1595    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3835    2.1301    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5979    2.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3835    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7836    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0076    2.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2028    2.1107    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4460    2.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1929    0.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6314    2.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8651    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0698    2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0698    0.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3036    2.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  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
  7 13  1  1  0  0  0
  7 14  1  6  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 10  2  0  0  0  0
 10 16  1  0  0  0  0
 13 17  1  0  0  0  0
 16 32  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  1  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  1  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
 29 31  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (1,536)
3643

>  <Formula> (1,536)
C31H52O3

>  <MolWeight> (1,536)
472.74278

>  <Item Name> (1,536)
Vitamin E Acetate

>  <Catalog Number> (1,536)
S3681

>  <Synonyms> (1,536)
Tocopherol acetate

>  <Target> (1,536)
Others

>  <Form> (1,536)
free base

>  <URL> (1,536)
http://www.selleckchem.com/products/vitamin-e-acetate.html

>  <CAS Number> (1,536)
58-95-7

$$$$
S3980 Pyridoxine.cdx
csChFnd80/07171813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    3.6436    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8192    2.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6436    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8380    0.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0317    2.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502    4.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6074    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0505    0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  2  0  0  0  0
M  END
>  <Mol_ID> (1,537)
3809

>  <Formula> (1,537)
C8H11NO3

>  <MolWeight> (1,537)
169.17784

>  <Item Name> (1,537)
Pyridoxine

>  <Catalog Number> (1,537)
S3980

>  <Synonyms> (1,537)
Pyridoxol, Vitamin B6, Gravidox

>  <Target> (1,537)
Others

>  <Form> (1,537)
free base

>  <URL> (1,537)
http://www.selleckchem.com/products/pyridoxine.html

>  <CAS Number> (1,537)
65-23-6

$$$$
CEFTIN (cefuroxime axetil).cdx
csChFnd80/07171813032D

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.3817    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    2.3481    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7817    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    1.6481    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    2.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066    3.7481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3952    4.7346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4148    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230    3.7481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    4.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9941    5.8432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2024    7.9359    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.4106    8.6335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6188    6.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8271    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9817    2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    2.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7693    0.2529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5610    3.7408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    4.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7735    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2298    1.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7817    0.9481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8313    5.8408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0395    3.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9942    8.6335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9700    2.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0385    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  4  1  0  0  0  0
  1  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 28  1  0  0  0  0
  2 29  1  1  0  0  0
  3 30  1  1  0  0  0
 12 31  2  0  0  0  0
 12 32  1  0  0  0  0
 16 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 28  2  0  0  0  0
M  END
>  <Mol_ID> (1,538)
3810

>  <Formula> (1,538)
C20H22N4O10S

>  <MolWeight> (1,538)
510.47448

>  <Item Name> (1,538)
Cefuroxime axetil

>  <Catalog Number> (1,538)
S4813

>  <Synonyms> (1,538)
N/A

>  <Target> (1,538)
Antifection

>  <Form> (1,538)
free base

>  <URL> (1,538)
http://www.selleckchem.com/products/cefuroxime-axetil.html

>  <CAS Number> (1,538)
64544-07-6

$$$$
S4821 Glycine.cdx
csChFnd80/07171813032D

  5  4  0  0  0  0  0  0  0  0999 V2000
    2.4255    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,539)
3811

>  <Formula> (1,539)
C2H5NO2

>  <MolWeight> (1,539)
75.0666

>  <Item Name> (1,539)
Glycine

>  <Catalog Number> (1,539)
S4821

>  <Synonyms> (1,539)
 2-Aminoacetic acid, Aminoacetic acid, Glycocoll

>  <Target> (1,539)
Others

>  <Form> (1,539)
free base

>  <URL> (1,539)
http://www.selleckchem.com/products/glycine.html

>  <CAS Number> (1,539)
56-40-6

$$$$
S4826 Aluminium hydroxide.cdx
csChFnd80/07171813032D

  4  3  0  0  0  0  0  0  0  0999 V2000
    1.4000    1.2124    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,540)
3812

>  <Formula> (1,540)
AlH3O3

>  <MolWeight> (1,540)
78.003558

>  <Item Name> (1,540)
Aluminium hydroxide

>  <Catalog Number> (1,540)
S4826

>  <Synonyms> (1,540)
Aluminic hydroxide, Aluminum trihydroxide, Aluminium(III) hydroxide

>  <Target> (1,540)
Others

>  <Form> (1,540)
free base

>  <URL> (1,540)
http://www.selleckchem.com/products/aluminium-hydroxide.html

>  <CAS Number> (1,540)
21645-51-2

$$$$
S4843 Potassium acetate.cdx
csChFnd80/07171813032D

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
M  END
>  <Mol_ID> (1,541)
3813

>  <Formula> (1,541)
C2H3KO2

>  <MolWeight> (1,541)
98.14232

>  <Item Name> (1,541)
Potassium acetate

>  <Catalog Number> (1,541)
S4843

>  <Synonyms> (1,541)
Diuretic salt, Potassium ethanoate

>  <Target> (1,541)
Others

>  <Form> (1,541)
potassium salt

>  <URL> (1,541)
http://www.selleckchem.com/products/potassium-acetate.html

>  <CAS Number> (1,541)
127-08-2

$$$$
S4844 Cefcapene Pivoxil Hydrochloride.cdx
csChFnd80/07171813032D

 41 41  0  0  0  0  0  0  0  0999 V2000
    9.8469    3.9919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    3.2921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3224    5.3985    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0326    6.1425    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    3.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3871    3.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2176    6.2751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2626    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5073    3.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2405    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8469    1.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    5.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    4.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4703    1.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    6.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625    4.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6633    5.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7224    1.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4837    5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6987    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5439    6.1939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714    6.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4689    4.3012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2611    6.0616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    8.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1823    1.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9376    3.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062    3.8298    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331    5.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3826    1.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0304    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8837    6.6799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7052    1.6925    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9803    9.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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M  END
>  <Mol_ID> (1,542)
3814

>  <Formula> (1,542)
C23H32ClN5O9S2

>  <MolWeight> (1,542)
622.11128

>  <Item Name> (1,542)
Cefcapene Pivoxil Hydrochloride

>  <Catalog Number> (1,542)
S4844

>  <Synonyms> (1,542)
N/A

>  <Target> (1,542)
Others

>  <Form> (1,542)
hydrochloride, hydrate

>  <URL> (1,542)
http://www.selleckchem.com/products/cefcapene-pivoxil-hydrochloride.html

>  <CAS Number> (1,542)
147816-24-8

$$$$
S5005 Cefotiam hydrochloride.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,543)
3815

>  <Formula> (1,543)
C18H25Cl2N9O4S3

>  <MolWeight> (1,543)
598.55

>  <Item Name> (1,543)
Cefotiam hydrochloride

>  <Catalog Number> (1,543)
S5005

>  <Synonyms> (1,543)
Cefotiam dihydrochloride, Halospor, Pansporin, Pansporine

>  <Target> (1,543)
Antifection

>  <Form> (1,543)
dihydrochloride

>  <URL> (1,543)
http://www.selleckchem.com/products/cefotiam-hydrochloride.html

>  <CAS Number> (1,543)
66309-69-1

$$$$
S5009 Brivudine.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,544)
3816

>  <Formula> (1,544)
C11H13BrN2O5

>  <MolWeight> (1,544)
333.13532

>  <Item Name> (1,544)
Brivudine

>  <Catalog Number> (1,544)
S5009

>  <Synonyms> (1,544)
BVDU

>  <Target> (1,544)
Antifection

>  <Form> (1,544)
free base

>  <URL> (1,544)
http://www.selleckchem.com/products/brivudine.html

>  <CAS Number> (1,544)
69304-47-8

$$$$
S3997 Oxaceprol.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,545)
3833

>  <Formula> (1,545)
C7H11NO4

>  <MolWeight> (1,545)
173.16654

>  <Item Name> (1,545)
Oxaceprol

>  <Catalog Number> (1,545)
S3997

>  <Synonyms> (1,545)
N-acetyl-L-hydroxyproline

>  <Target> (1,545)
Others

>  <Form> (1,545)
free base

>  <URL> (1,545)
http://www.selleckchem.com/products/oxaceprol.html

>  <CAS Number> (1,545)
33996-33-7

$$$$
S4817 Atenolol.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,546)
3837

>  <Formula> (1,546)
C14H22N2O3

>  <MolWeight> (1,546)
266.33608

>  <Item Name> (1,546)
Atenolol

>  <Catalog Number> (1,546)
S4817

>  <Synonyms> (1,546)
Tenormin, Normiten, Blokium

>  <Target> (1,546)
¦Â1 receptor,¦Â2 receptor

>  <Form> (1,546)
free base

>  <URL> (1,546)
http://www.selleckchem.com/products/atenolol.html

>  <CAS Number> (1,546)
29122-68-7

$$$$
S4838 Acotiamide hydrochloride.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,547)
3838

>  <Formula> (1,547)
C21H37ClN4O8S

>  <MolWeight> (1,547)
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>  <Item Name> (1,547)
Acotiamide hydrochloride

>  <Catalog Number> (1,547)
S4838

>  <Synonyms> (1,547)
YM-443 HCl, Z-338 HCl

>  <Target> (1,547)
acetylcholinesterase

>  <Form> (1,547)
hydrochloride trihydrate

>  <URL> (1,547)
http://www.selleckchem.com/products/acotiamide-hydrochloride.html

>  <CAS Number> (1,547)
773092-05-0

$$$$
S4854 Bedaquiline fumarate.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,548)
3839

>  <Formula> (1,548)
C36H35BrN2O6

>  <MolWeight> (1,548)
671.5769

>  <Item Name> (1,548)
Bedaquiline fumarate

>  <Catalog Number> (1,548)
S4854

>  <Synonyms> (1,548)
TMC-207

>  <Target> (1,548)
Antifection

>  <Form> (1,548)
fumarate

>  <URL> (1,548)
http://www.selleckchem.com/products/bedaquiline-fumarate.html

>  <CAS Number> (1,548)
845533-86-0

$$$$
S4927 Cyclen.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,549)
3840

>  <Formula> (1,549)
C8H20N4

>  <MolWeight> (1,549)
172.2712

>  <Item Name> (1,549)
Cyclen

>  <Catalog Number> (1,549)
S4927

>  <Synonyms> (1,549)
1,4,7,10-tetraazacyclododecane

>  <Target> (1,549)
Others

>  <Form> (1,549)
free base

>  <URL> (1,549)
http://www.selleckchem.com/products/cyclen.html

>  <CAS Number> (1,549)
294-90-6

$$$$
S4928 Brivaracetam.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,550)
3841

>  <Formula> (1,550)
C11H20N2O2

>  <MolWeight> (1,550)
212.2887

>  <Item Name> (1,550)
Brivaracetam

>  <Catalog Number> (1,550)
S4928

>  <Synonyms> (1,550)
UCB34714

>  <Target> (1,550)
Others

>  <Form> (1,550)
free base

>  <URL> (1,550)
http://www.selleckchem.com/products/brivaracetam.html

>  <CAS Number> (1,550)
357336-20-0

$$$$
S4930 Cetilistat.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,551)
3842

>  <Formula> (1,551)
C25H39NO3

>  <MolWeight> (1,551)
401.58206

>  <Item Name> (1,551)
Cetilistat

>  <Catalog Number> (1,551)
S4930

>  <Synonyms> (1,551)
ATL962

>  <Target> (1,551)
pancreatic lipase

>  <Form> (1,551)
free base

>  <URL> (1,551)
http://www.selleckchem.com/products/cetilistat.html

>  <CAS Number> (1,551)
282526-98-1

$$$$
S4935 Asunaprevir.cdx
csChFnd80/07171813032D

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>  <Formula> (1,552)
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>  <MolWeight> (1,552)
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>  <Item Name> (1,552)
Asunaprevir

>  <Catalog Number> (1,552)
S4935

>  <Synonyms> (1,552)
BMS-650032

>  <Target> (1,552)
hepatitis C virus enzyme serine protease NS

>  <Form> (1,552)
free base

>  <URL> (1,552)
http://www.selleckchem.com/products/asunaprevir.html

>  <CAS Number> (1,552)
630420-16-5

$$$$
S5007 Delamanid.cdx
csChFnd80/07171813032D

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>  <Synonyms> (1,553)
OPC-67683

>  <Target> (1,553)
Others

>  <Form> (1,553)
free base

>  <URL> (1,553)
http://www.selleckchem.com/products/delamanid.html

>  <CAS Number> (1,553)
681492-22-8

$$$$
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 47 50  1  0  0  0  0
 21 47  1  0  0  0  0
  3 53  1  1  0  0  0
  8 54  1  6  0  0  0
  4 55  1  6  0  0  0
M  END
>  <Mol_ID> (1,554)
3845

>  <Formula> (1,554)
C38H47N5O7S2

>  <MolWeight> (1,554)
749.93908

>  <Item Name> (1,554)
TMC-435, TMC-435350

>  <Catalog Number> (1,554)
S5015

>  <Synonyms> (1,554)
TMC-435, TMC-435350

>  <Target> (1,554)
HCV NS3/4A protease

>  <Form> (1,554)
free base

>  <URL> (1,554)
http://www.selleckchem.com/products/simeprevir.html

>  <CAS Number> (1,554)
923604-59-5

$$$$
S5033 Terconazole.cdx
csChFnd80/07171813032D

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 25 29  2  0  0  0  0
 34 25  1  0  0  0  0
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 28 31  1  0  0  0  0
 30 28  1  0  0  0  0
 32 30  2  0  0  0  0
 33 30  1  0  0  0  0
M  END
>  <Mol_ID> (1,555)
3854

>  <Formula> (1,555)
C26H31Cl2N5O3

>  <MolWeight> (1,555)
532.46204

>  <Item Name> (1,555)
Terconazole

>  <Catalog Number> (1,555)
S5033

>  <Synonyms> (1,555)
Terazol 3, Terazol 7, Triaconazole, Gyno-Terazol 

>  <Target> (1,555)
Anti-infection

>  <Form> (1,555)
free base

>  <URL> (1,555)
http://selleckchem.com/products/terconazole.html

>  <CAS Number> (1,555)
67915-31-5

$$$$
S3074 Chlortalidone.cdx
csChFnd80/07171813032D

 22 24  0  0  0  0  0  0  0  0999 V2000
    3.7581    3.5690    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4630    3.1452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1881    4.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4630    1.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9705    5.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2402    1.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3918    4.2783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,556)
3857

>  <Formula> (1,556)
C14H11ClN2O4S

>  <MolWeight> (1,556)
338.76614

>  <Item Name> (1,556)
Chlorthalidone

>  <Catalog Number> (1,556)
S3074

>  <Synonyms> (1,556)
Chlortalidone

>  <Target> (1,556)
Others

>  <Form> (1,556)
free base

>  <URL> (1,556)
http://selleckchem.com/products/chlorthalidone-chlortalidone.html

>  <CAS Number> (1,556)
77-36-1

$$$$
S4896 Elagolix Sodium.cdx
csChFnd80/07171813032D

 46 48  0  0  0  0  0  0  0  0999 V2000
    8.3932    6.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,557)
3860

>  <Formula> (1,557)
C32H29F5N3NaO5

>  <MolWeight> (1,557)
653.571546

>  <Item Name> (1,557)
Elagolix Sodium

>  <Catalog Number> (1,557)
S4896

>  <Synonyms> (1,557)
NBI-56418, ABT-620

>  <Target> (1,557)
Estrogen/progestogen Receptor

>  <URL> (1,557)
http://selleckchem.com/products/elagolix-sodium.html

>  <CAS Number> (1,557)
832720-36-2

$$$$
S5023 Nadolol.cdx
csChFnd80/07171813032D

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  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  1  0  0  0
  9 10  1  0  0  0  0
 10 14  1  1  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,558)
3865

>  <Formula> (1,558)
C17H27NO4

>  <MolWeight> (1,558)
309.40058

>  <Item Name> (1,558)
Nadolol

>  <Catalog Number> (1,558)
S5023

>  <Synonyms> (1,558)
Corgard, Solgol, Anabet

>  <Target> (1,558)
Androgen Receptor

>  <Form> (1,558)
free base

>  <URL> (1,558)
http://selleckchem.com/products/nadolol.html

>  <CAS Number> (1,558)
42200-33-9

$$$$
S5025 Efinaconazole.cdx
csChFnd80/07171813032D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.8724    4.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2803    6.0564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4394    7.1758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2375    8.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5769    7.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6034    6.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1812    2.8128    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8921    1.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9272    0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5524    2.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5133    3.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8575    3.2058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1444    3.7463    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2937    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3145    5.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4435    3.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2198    2.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4198    0.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364    1.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4390    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4791    1.9508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  6  1  0  0  0  0
  1  2  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
  7 12  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
 13  1  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 17 22  2  0  0  0  0
 20 23  1  0  0  0  0
 18 24  1  0  0  0  0
 13 17  1  0  0  0  0
 13 25  1  6  0  0  0
M  END
>  <Mol_ID> (1,559)
3866

>  <Formula> (1,559)
C18H22F2N4O

>  <MolWeight> (1,559)
348.3902864

>  <Item Name> (1,559)
Efinaconazole

>  <Catalog Number> (1,559)
S5025

>  <Synonyms> (1,559)
KP-103

>  <Target> (1,559)
Anti-infection

>  <Form> (1,559)
free base

>  <URL> (1,559)
http://selleckchem.com/products/efinaconazole.html

>  <CAS Number> (1,559)
164650-44-6

$$$$
S5030 Dihydralazine sulphate.cdx
csChFnd80/07171813032D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.2998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5819    2.2051    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.3696    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7944    1.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    3.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8819    0.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  2  0  0  0  0
 11 12  1  0  0  0  0
  4 12  2  0  0  0  0
 13 14  1  0  0  0  0
  1 14  2  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,560)
3867

>  <Formula> (1,560)
C8H12N6O4S

>  <MolWeight> (1,560)
288.28368

>  <Item Name> (1,560)
Dihydralazine sulphate

>  <Catalog Number> (1,560)
S5030

>  <Synonyms> (1,560)
Nepresol; Depressan; 1,4-Dihydrazinophthalazine sulfate; Hydralazine sulfate

>  <Target> (1,560)
Others

>  <URL> (1,560)
http://selleckchem.com/products/dihydralazine-sulphate.html

>  <CAS Number> (1,560)
7327-87-9

$$$$
S5059 Pixantrone Maleate.cdx
csChFnd80/07171813032D

 40 40  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.3832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    1.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    4.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6927    4.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5943    5.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1943    5.6805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2960    6.8902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6960    6.8883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7943    5.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6927    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5943    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1943    1.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2960    2.4267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3943    1.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6960    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7943    1.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  7  1  1  0  0  0  0
  4  2  1  0  0  0  0
  8  2  1  0  0  0  0
  5  3  1  0  0  0  0
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 10  4  2  0  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
 14  5  1  0  0  0  0
 17  6  1  0  0  0  0
 13  7  2  0  0  0  0
 16  7  1  0  0  0  0
 15  8  1  0  0  0  0
  8 12  2  0  0  0  0
 11 14  2  0  0  0  0
 20 11  1  0  0  0  0
 12 13  1  0  0  0  0
 21 15  1  0  0  0  0
 22 16  1  0  0  0  0
 20 17  2  0  0  0  0
 18 24  1  0  0  0  0
 19 23  1  0  0  0  0
 24 21  1  0  0  0  0
 23 22  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 26 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 34 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
>  <Mol_ID> (1,561)
3873

>  <Formula> (1,561)
C25H27N5O10

>  <MolWeight> (1,561)
557.50938

>  <Item Name> (1,561)
Pixantrone Maleate

>  <Catalog Number> (1,561)
S5059

>  <Synonyms> (1,561)
BBR-2778

>  <Target> (1,561)
Topoisomerase

>  <Form> (1,561)
dimaleate

>  <URL> (1,561)
http://selleckchem.com/products/pixantrone-maleate.html

>  <CAS Number> (1,561)
144675-97-8

$$$$
S5063 Trelagliptin succinate.cdx
csChFnd80/07171813032D

 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
    7.2746    0.0000    0.0000 F   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
    2.4249    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 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
    0.0000    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
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4940    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7064    4.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9147    3.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   17.5393    4.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3311    2.2362    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
  6  8  1  0  0  0  0
  3 10  1  0  0  0  0
  7 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 11  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  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
 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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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 28 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (1,562)
3874

>  <Formula> (1,562)
C22H26FN5O6

>  <MolWeight> (1,562)
475.4701432

>  <Item Name> (1,562)
Trelagliptin succinate

>  <Catalog Number> (1,562)
S5063

>  <Synonyms> (1,562)
N/A

>  <Target> (1,562)
DPP-4

>  <Form> (1,562)
succinate

>  <URL> (1,562)
http://selleckchem.com/products/trelagliptin-succinate.html

>  <CAS Number> (1,562)
1029877-94-8

$$$$
S5070 Mupirocin calcium.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,563)
3875

>  <Formula> (1,563)
C52H90CaO20

>  <MolWeight> (1,563)
1075.337

>  <Item Name> (1,563)
Mupirocin calcium

>  <Catalog Number> (1,563)
S5070

>  <Synonyms> (1,563)
pseudomonic acid A

>  <Target> (1,563)
Anti-infection

>  <Form> (1,563)
calcium salt dihydrate

>  <URL> (1,563)
http://selleckchem.com/products/mupirocin-calcium.html

>  <CAS Number> (1,563)
115074-43-6

$$$$
S5206 Benzylpenicillin potassiuM.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,564)
3889

>  <Formula> (1,564)
C16H17KN2O4S

>  <MolWeight> (1,564)
372.48048

>  <Item Name> (1,564)
Benzylpenicillin potassium

>  <Catalog Number> (1,564)
S5206

>  <Synonyms> (1,564)
Penicillin G potassium

>  <Target> (1,564)
Anti-infection

>  <Form> (1,564)
potassium salt

>  <URL> (1,564)
http://selleckchem.com/products/benzylpenicillin-potassium.html

>  <CAS Number> (1,564)
113-98-4

$$$$
S5208 Ciprofloxacin hydrochloride hydrate.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,565)
3890

>  <Formula> (1,565)
C17H21ClFN3O4

>  <MolWeight> (1,565)
385.8177432

>  <Item Name> (1,565)
Ciprofloxacin hydrochloride hydrate

>  <Catalog Number> (1,565)
S5208

>  <Synonyms> (1,565)
Ciloxan, Ceprimax, Oftacilox

>  <Target> (1,565)
Anti-infection

>  <Form> (1,565)
hydrochloride hydrate

>  <URL> (1,565)
http://selleckchem.com/products/ciprofloxacin-hydrochloride-hydrate.html

>  <CAS Number> (1,565)
86393-32-0

$$$$
S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/07171813032D

 24 25  0  0  0  0  0  0  0  0999 V2000
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  5 24  1  0  0  0  0
A   23
?1.5H2O?
M  END
>  <Mol_ID> (1,566)
3891

>  <Formula> (1,566)
C15H17FN4O3R

>  <MolWeight> (1,566)
320.3188832

>  <Item Name> (1,566)
Enoxacin Sesquihydrate

>  <Catalog Number> (1,566)
S5209

>  <Synonyms> (1,566)
Enoxacin hydrate

>  <Target> (1,566)
Anti-infection

>  <Form> (1,566)
sesquihydrate

>  <URL> (1,566)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

>  <CAS Number> (1,566)
84294-96-2

$$$$
S5210 Sulfamethazine Sodium Salt.cdx
csChFnd80/07171813032D

 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
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    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
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    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,567)
3892

>  <Formula> (1,567)
C12H13N4NaO2S

>  <MolWeight> (1,567)
300.31199

>  <Item Name> (1,567)
Sulfamethazine Sodium Salt

>  <Catalog Number> (1,567)
S5210

>  <Synonyms> (1,567)
Sulfadimethyldiazine Sodium Salt

>  <Target> (1,567)
Anti-infection

>  <Form> (1,567)
sodium salt 

>  <URL> (1,567)
http://selleckchem.com/products/sulfamethazine-sodium-salt.html

>  <CAS Number> (1,567)
1981-58-4

$$$$
S4834 Propantheline bromide.cdx
csChFnd80/07171813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
    3.6285    2.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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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  1  0  0  0  0
  3  8  2  0  0  0  0
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  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  2  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
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 22 27  1  0  0  0  0
M  END
>  <Mol_ID> (1,568)
3900

>  <Formula> (1,568)
C23H30BrNO3

>  <MolWeight> (1,568)
448.3932

>  <Item Name> (1,568)
Propantheline bromide

>  <Catalog Number> (1,568)
S4834

>  <Synonyms> (1,568)
Pro-Banthine, Neometantyl, Neopepulsan

>  <Target> (1,568)
AChR

>  <Form> (1,568)
bromide 

>  <URL> (1,568)
http://selleckchem.com/products/propantheline-bromide.html

>  <CAS Number> (1,568)
50-34-0

$$$$
S4877 Eperisone hydrochloride.cdx
csChFnd80/07171813032D

 20 20  0  0  0  0  0  0  0  0999 V2000
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    6.0655    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472    2.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592    0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0655    4.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6472    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5066    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (1,569)
3901

>  <Formula> (1,569)
C17H26ClNO

>  <MolWeight> (1,569)
295.84744

>  <Item Name> (1,569)
Eperisone hydrochloride

>  <Catalog Number> (1,569)
S4877

>  <Synonyms> (1,569)
N/A

>  <Target> (1,569)
Others

>  <Form> (1,569)
hydrochloride 

>  <URL> (1,569)
http://selleckchem.com/products/eperisone-hydrochloride.html

>  <CAS Number> (1,569)
56839-43-1

$$$$
S4878 Neticonazole Hydrochloride.cdx
csChFnd80/07171813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
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 14  8  1  0  0  0  0
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M  END
>  <Mol_ID> (1,570)
3902

>  <Formula> (1,570)
C17H23ClN2OS

>  <MolWeight> (1,570)
338.89532

>  <Item Name> (1,570)
Neticonazole Hydrochloride

>  <Catalog Number> (1,570)
S4878

>  <Synonyms> (1,570)
N/A

>  <Target> (1,570)
Anti-infection

>  <Form> (1,570)
hydrochloride 

>  <URL> (1,570)
http://selleckchem.com/products/neticonazole-hydrochloride.html

>  <CAS Number> (1,570)
130773-02-3

$$$$
S4991 Valpromide.cdx
csChFnd80/07171813032D

 10  9  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,571)
3904

>  <Formula> (1,571)
C8H17NO

>  <MolWeight> (1,571)
143.22668

>  <Item Name> (1,571)
Valpromide

>  <Catalog Number> (1,571)
S4991

>  <Synonyms> (1,571)
Depamide, Dipropylacetamide, 2-propylpentanamide

>  <Target> (1,571)
Others

>  <Form> (1,571)
free base

>  <URL> (1,571)
http://selleckchem.com/products/valpromide.html

>  <CAS Number> (1,571)
2430-27-5

$$$$
S5039 Actarit.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,572)
3906

>  <Formula> (1,572)
C10H11NO3

>  <MolWeight> (1,572)
193.19924

>  <Item Name> (1,572)
Actarit

>  <Catalog Number> (1,572)
S5039

>  <Synonyms> (1,572)
4-acetylaminophenylacetic acid

>  <Target> (1,572)
Immunology & Inflammation related

>  <Form> (1,572)
free base

>  <URL> (1,572)
http://selleckchem.com/products/actarit.html

>  <CAS Number> (1,572)
18699-02-0

$$$$
S5052 Granisetron.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,573)
3909

>  <Formula> (1,573)
C18H24N4O

>  <MolWeight> (1,573)
312.40936

>  <Item Name> (1,573)
Granisetron

>  <Catalog Number> (1,573)
S5052

>  <Synonyms> (1,573)
Sancuso, Kevatril, Granisetronum, Sustol

>  <Target> (1,573)
5-HT Receptor

>  <URL> (1,573)
http://selleckchem.com/products/granisetron.html

>  <CAS Number> (1,573)
109889-09-0

$$$$
S5062 Daclatasvir Digydrochloride.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,574)
3911

>  <Formula> (1,574)
C40H52Cl2N8O6

>  <MolWeight> (1,574)
811.79688

>  <Item Name> (1,574)
Daclatasvir Digydrochloride

>  <Catalog Number> (1,574)
S5062

>  <Synonyms> (1,574)
N/A

>  <Target> (1,574)
HCV Protease

>  <Form> (1,574)
dihydrochloride 

>  <URL> (1,574)
http://selleckchem.com/products/daclatasvir-digydrochloride.html

>  <CAS Number> (1,574)
1009119-65-6

$$$$
S5066 Pramipexole dihydrochloride.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,575)
3912

>  <Formula> (1,575)
C10H19Cl2N3S

>  <MolWeight> (1,575)
284.24896

>  <Item Name> (1,575)
Pramipexole dihydrochloride

>  <Catalog Number> (1,575)
S5066

>  <Synonyms> (1,575)
N/A

>  <Target> (1,575)
Dopamine Receptor

>  <Form> (1,575)
dihydrochloride 

>  <URL> (1,575)
http://selleckchem.com/products/pramipexole-dihydrochloride.html

>  <CAS Number> (1,575)
104632-25-9

$$$$
S5074 Argatroban Monohydrate.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,576)
3913

>  <Formula> (1,576)
C23H38N6O6S

>  <MolWeight> (1,576)
526.64942

>  <Item Name> (1,576)
Argatroban Monohydrate

>  <Catalog Number> (1,576)
S5074

>  <Synonyms> (1,576)
Argatroban hydrate, Argipidine

>  <Target> (1,576)
Thrombin

>  <URL> (1,576)
http://selleckchem.com/products/argatroban-monohydrate.html

>  <CAS Number> (1,576)
141396-28-3

$$$$
S5075 Acotiamide.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,577)
3914

>  <Formula> (1,577)
C21H30N4O5S

>  <MolWeight> (1,577)
450.5517

>  <Item Name> (1,577)
Acotiamide

>  <Catalog Number> (1,577)
S5075

>  <Synonyms> (1,577)
Acofide

>  <Target> (1,577)
AChR

>  <Form> (1,577)
free base

>  <URL> (1,577)
http://selleckchem.com/products/acotiamide.html

>  <CAS Number> (1,577)
185106-16-5

$$$$
S5077 Regorafenib Monohydrate.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,578)
3915

>  <Formula> (1,578)
C21H17ClF4N4O4

>  <MolWeight> (1,578)
500.8306928

>  <Item Name> (1,578)
Regorafenib Monohydrate

>  <Catalog Number> (1,578)
S5077

>  <Synonyms> (1,578)
N/A

>  <Target> (1,578)
VEGFR,PDGFR,c-Kit,c-RET,Raf

>  <Form> (1,578)
monohydrate

>  <URL> (1,578)
http://selleckchem.com/products/regorafenib-monohydrate.html

>  <CAS Number> (1,578)
1019206-88-2

$$$$
S5079 Sitagliptin.cdx
csChFnd80/07171813032D

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>  <Mol_ID> (1,579)
3916

>  <Formula> (1,579)
C16H15F6N5O

>  <MolWeight> (1,579)
407.3136192

>  <Item Name> (1,579)
Sitagliptin

>  <Catalog Number> (1,579)
S5079

>  <Synonyms> (1,579)
MK-0431

>  <Target> (1,579)
DPP-4

>  <Form> (1,579)
free base

>  <URL> (1,579)
http://selleckchem.com/products/sitagliptin.html

>  <CAS Number> (1,579)
486460-32-6

$$$$
S5084 Carbazochrome.cdx
csChFnd80/07171813032D

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    9.0402    4.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    1.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0361    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379    3.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    1.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    5.2705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6  8  1  0  0  0  0
  7 12  2  0  0  0  0
  7 10  1  0  0  0  0
 10 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
 15 17  2  0  0  0  0
M  END
>  <Mol_ID> (1,580)
3917

>  <Formula> (1,580)
C10H12N4O3

>  <MolWeight> (1,580)
236.22728

>  <Item Name> (1,580)
Carbazochrome

>  <Catalog Number> (1,580)
S5084

>  <Synonyms> (1,580)
Adedolon, Adchnon, Adrenostazin, Cromadrenal, Adona, AC-17

>  <Target> (1,580)
Others

>  <Form> (1,580)
free base

>  <URL> (1,580)
http://selleckchem.com/products/carbazochrome.html

>  <CAS Number> (1,580)
69-81-8

$$$$
S5100 Pralidoxime Iodide.cdx
csChFnd80/07171813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.4173    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    1.3798    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4173    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091    1.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    4.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143    2.0747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.3798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6477    0.2516    0.0000 I   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (1,581)
3921

>  <Formula> (1,581)
C7H9IN2O

>  <MolWeight> (1,581)
264.06363

>  <Item Name> (1,581)
Pralidoxime Iodide

>  <Catalog Number> (1,581)
S5100

>  <Synonyms> (1,581)
2-PAM

>  <Target> (1,581)
AChR

>  <Form> (1,581)
iodide salt

>  <URL> (1,581)
http://selleckchem.com/products/pralidoxime-lodide.html

>  <CAS Number> (1,581)
94-63-3

$$$$
S5305 2-Bromo-N-carbamoyl-3-methylbutanamide.cdx
csChFnd80/07171813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 Br  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
    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 C   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
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  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
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (1,582)
3929

>  <Formula> (1,582)
C6H11BrN2O2

>  <MolWeight> (1,582)
223.06774

>  <Item Name> (1,582)
Bromisoval

>  <Catalog Number> (1,582)
S5305

>  <Synonyms> (1,582)
bromovalerylurea, Isobromyl, Bromaral, BRN 1773255, 2-Bromo-N-carbamoyl-3-methylbutanamide

>  <Target> (1,582)
Others

>  <Form> (1,582)
free base

>  <URL> (1,582)
http://selleckchem.com/products/bromisoval.html

>  <CAS Number> (1,582)
496-67-3

$$$$
S5309 Propyphenazone.cdx
csChFnd80/07171813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.2068    2.4611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    2.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0072    3.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    1.3301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076    3.6569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0953    1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3473    3.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    4.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    1.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5776    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7076    3.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6954    1.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4779    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4875    0.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583    3.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3280    5.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,583)
3930

>  <Formula> (1,583)
C14H18N2O

>  <MolWeight> (1,583)
230.30552

>  <Item Name> (1,583)
Propyphenazone (4-Isopropylantipyrine)

>  <Catalog Number> (1,583)
S5309

>  <Synonyms> (1,583)
Isopropylantipyrine, Isopropyrine

>  <Target> (1,583)
Others

>  <Form> (1,583)
free base

>  <URL> (1,583)
http://selleckchem.com/products/propyphenazone.html

>  <CAS Number> (1,583)
479-92-5

$$$$
S4827 Manganese chloride.cdx
csChFnd80/07171813032D

  3  2  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.7000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
>  <Mol_ID> (1,584)
3934

>  <Formula> (1,584)
Cl2Mn

>  <MolWeight> (1,584)
125.844049

>  <Item Name> (1,584)
Manganese chloride

>  <Catalog Number> (1,584)
S4827

>  <Synonyms> (1,584)
N/A

>  <Target> (1,584)
Others

>  <Form> (1,584)
free base

>  <URL> (1,584)
http://selleckchem.com/products/manganese-chloride.html

>  <CAS Number> (1,584)
7773-01-5

$$$$
S4836 Nilutamide.cdx
csChFnd80/07171813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6535    2.5478    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535    2.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7640    1.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7777    3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    3.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7579    1.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3916    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1544    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3646    3.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1860    5.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1760    3.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1565    1.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8502    2.5044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8760    4.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2502    2.5044    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.5761    6.1564    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6734    5.6381    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0983    4.2381    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.9526    1.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9478    3.7127    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7  9  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  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
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (1,585)
3935

>  <Formula> (1,585)
C12H10F3N3O4

>  <MolWeight> (1,585)
317.2207096

>  <Item Name> (1,585)
Nilutamide

>  <Catalog Number> (1,585)
S4836

>  <Synonyms> (1,585)
RU23908

>  <Target> (1,585)
Androgen Receptor

>  <URL> (1,585)
http://selleckchem.com/products/nilutamide.html

>  <CAS Number> (1,585)
63612-50-0

$$$$
S4837 Ibudilast.cdx
csChFnd80/07171813032D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.7716    2.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5906    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1928    3.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4504    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    0.2933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0027    1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4904    4.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3570    5.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6904    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7072    0.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9388    5.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3634    3.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0100    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
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  6 12  2  0  0  0  0
  8 13  1  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
 11 17  2  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,586)
3936

>  <Formula> (1,586)
C14H18N2O

>  <MolWeight> (1,586)
230.30552

>  <Item Name> (1,586)
Ibudilast

>  <Catalog Number> (1,586)
S4837

>  <Synonyms> (1,586)
KC-404, AV411, MN166

>  <Target> (1,586)
PDE

>  <Form> (1,586)
free base

>  <URL> (1,586)
http://selleckchem.com/products/Ibudilast.html

>  <CAS Number> (1,586)
50847-11-5

$$$$
S4848 Dalbavancin.cdx
csChFnd80/07171813032D

128140  0  0  0  0  0  0  0  0999 V2000
   19.3085   10.5973    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3933    3.4175    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9459    2.1783    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1566   11.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8519    3.5758    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4936   12.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5244   12.6451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5780   11.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6299    4.1755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4936   11.3331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2777   10.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8934   11.3331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4770   10.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8237   18.8400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6935   10.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1248   15.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7793   10.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3085   14.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1636   11.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8097   19.3581    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4917    2.0008    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (1,587)
3937

>  <Formula> (1,587)
C88H100Cl2N10O28

>  <MolWeight> (1,587)
1816.6918

>  <Item Name> (1,587)
Dalbavancin

>  <Catalog Number> (1,587)
S4848

>  <Synonyms> (1,587)
zeven

>  <Target> (1,587)
Anti-infection

>  <Form> (1,587)
free base

>  <URL> (1,587)
http://selleckchem.com/products/dalbavancin.html

>  <CAS Number> (1,587)
171500-79-1

$$$$
S4851 Tafluprost.cdx
csChFnd80/07171813032D

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  5 18  1  6  0  0  0
  6 19  1  6  0  0  0
  7  8  1  0  0  0  0
 14  7  1  0  0  0  0
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  9 23  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
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 12 20  1  0  0  0  0
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 32 30  1  0  0  0  0
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M  END
>  <Mol_ID> (1,588)
3938

>  <Formula> (1,588)
C25H34F2O5

>  <MolWeight> (1,588)
452.5312664

>  <Item Name> (1,588)
Tafluprost

>  <Catalog Number> (1,588)
S4851

>  <Synonyms> (1,588)
AFP-168

>  <Target> (1,588)
Others

>  <URL> (1,588)
http://selleckchem.com/products/tafluprost.html

>  <CAS Number> (1,588)
209860-87-7

$$$$
S4852 Gadopentetate Dimeglumine.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,589)
3939

>  <Formula> (1,589)
C28H54GdN5O20

>  <MolWeight> (1,589)
937.99986

>  <Item Name> (1,589)
Gadopentetate Dimeglumine

>  <Catalog Number> (1,589)
S4852

>  <Synonyms> (1,589)
Gadopentetic acid dimeglumine, Gd-DTPA, Meglumine gadopentetate

>  <Target> (1,589)
Others

>  <Form> (1,589)
dimeglumine salt

>  <URL> (1,589)
http://selleckchem.com/products/gadopentetate-dimeglumine.html

>  <CAS Number> (1,589)
86050-77-3

$$$$
S4931 Propiverine hydrochloride.cdx
csChFnd80/07171813032D

 28 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (1,590)
3941

>  <Formula> (1,590)
C23H30ClNO3

>  <MolWeight> (1,590)
403.9422

>  <Item Name> (1,590)
Propiverine hydrochloride

>  <Catalog Number> (1,590)
S4931

>  <Synonyms> (1,590)
N/A

>  <Target> (1,590)
Others

>  <URL> (1,590)
http://selleckchem.com/products/propiverine-hydrochloride.html

>  <CAS Number> (1,590)
54556-98-8

$$$$
S4932 Proxyphylline.cdx
csChFnd80/07171813032D

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M  END
>  <Mol_ID> (1,591)
3942

>  <Formula> (1,591)
C10H14N4O3

>  <MolWeight> (1,591)
238.24316

>  <Item Name> (1,591)
Proxyphylline

>  <Catalog Number> (1,591)
S4932

>  <Synonyms> (1,591)
Monophylline, Spasmolysin

>  <Target> (1,591)
Adenosine Receptor

>  <Form> (1,591)
free base

>  <URL> (1,591)
http://selleckchem.com/products/proxyphylline.html

>  <CAS Number> (1,591)
603-00-9

$$$$
S5006 Teprenone.cdx
csChFnd80/07171813032D

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Teprenone

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S5006

>  <Synonyms> (1,592)
geranylgeranylacetone, Tetraprenylacetone

>  <Target> (1,592)
Others

>  <URL> (1,592)
http://selleckchem.com/products/teprenone.html

>  <CAS Number> (1,592)
6809-52-5

$$$$
S5012 Octenidine Dihydrochloride.cdx
csChFnd80/07171813032D

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>  <Formula> (1,593)
C36H64Cl2N4

>  <MolWeight> (1,593)
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>  <Item Name> (1,593)
Octenidine Dihydrochloride

>  <Catalog Number> (1,593)
S5012

>  <Synonyms> (1,593)
N/A

>  <Target> (1,593)
Anti-infection

>  <URL> (1,593)
http://selleckchem.com/products/octenidine-ihydrochloride.html

>  <CAS Number> (1,593)
70775-75-6

$$$$
S5013 Ioversol.cdx
csChFnd80/07171813032D

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>  <Formula> (1,594)
C18H24I3N3O9

>  <MolWeight> (1,594)
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Ioversol

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>  <Synonyms> (1,594)
N/A

>  <Target> (1,594)
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>  <URL> (1,594)
http://selleckchem.com/products/lversol.html

>  <CAS Number> (1,594)
87771-40-2

$$$$
S5014 Crisaborole (AN2728).cdx
csChFnd80/07171813032D

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PDE

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free base

>  <URL> (1,595)
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>  <CAS Number> (1,595)
906673-24-3

$$$$
DIPRIVAN (propofol).cdx
csChFnd80/07171813032D

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Propofol

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>  <Synonyms> (1,596)
N/A

>  <Target> (1,596)
GABA Receptor

>  <URL> (1,596)
http://selleckchem.com/products/propofol-diprivan.html

>  <CAS Number> (1,596)
2078-54-8

$$$$
S4849 Levocetirizine Dihydrochloride.cdx
csChFnd80/07171813032D

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   10.0593    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0593    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2717    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6344    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   28.1035    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
  6  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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  8 13  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 15  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 24 27  1  0  0  0  0
 14 21  1  0  0  0  0
 14 11  1  0  0  0  0
  7  8  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,597)
3951

>  <Formula> (1,597)
C21H27Cl3N2O3

>  <MolWeight> (1,597)
461.80968

>  <Item Name> (1,597)
Levocetirizine Dihydrochloride

>  <Catalog Number> (1,597)
S4849

>  <Synonyms> (1,597)
Xyzal Dihydrochloride, (-)-Cetirizine Dihydrochloride

>  <Target> (1,597)
Histamine Receptor

>  <Form> (1,597)
dihydrochloride 

>  <URL> (1,597)
http://selleckchem.com/products/levocetirizine-dihydrochloride.html

>  <CAS Number> (1,597)
130018-87-0

$$$$
S4869 Sulfamethoxazole sodium.cdx
csChFnd80/07171813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    1.5876    0.0000 O   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
    4.1497    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    1.4077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4904    2.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    2.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  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
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  2  0  0  0  0
 17 12  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
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,598)
3958

>  <Formula> (1,598)
C10H10N3NaO3S

>  <MolWeight> (1,598)
275.25947

>  <Item Name> (1,598)
Sulfamethoxazole sodium

>  <Catalog Number> (1,598)
S4869

>  <Synonyms> (1,598)
N/A

>  <Target> (1,598)
Anti-infection

>  <URL> (1,598)
http://selleckchem.com/products/sulfamethoxazole-sodium.html

>  <CAS Number> (1,598)
4563-84-2

$$$$
S2501 Pyrantel pamoate.cdx
csChFnd80/07171813032D

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.4176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.4051    0.0000 C   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
    2.4249    3.4927    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
    3.6373    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
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    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    9.4152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0580    6.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1903    0.0000 O   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
    7.2662    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8649    5.6348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8711    4.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    3.5314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4440    4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4401    5.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506    6.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6629    2.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0793    3.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2896    4.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4968    3.5429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7761    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129    3.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0129    1.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6435    2.1512    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
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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
 13 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
  9 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  8 25  1  0  0  0  0
 17 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 32 36  1  0  0  0  0
 31 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 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 39  1  0  0  0  0
M  END
>  <Mol_ID> (1,599)
3977

>  <Formula> (1,599)
C34H30N2O6S

>  <MolWeight> (1,599)
594.6768

>  <Item Name> (1,599)
Pyrantel Pamoate 

>  <Catalog Number> (1,599)
S2501

>  <Synonyms> (1,599)
Pyrantel Embonate

>  <Target> (1,599)
Anti-infection

>  <Form> (1,599)
salt

>  <URL> (1,599)
http://selleckchem.com/products/Pyrantel-pamoate(Pyrantel-embonate).html

>  <CAS Number> (1,599)
22204-24-6

$$$$
S4815 L-Cysteine HCL.cdx
csChFnd80/07171813032D

  8  6  0  0  0  0  0  0  0  0999 V2000
    2.4142    1.5948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6264    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2087    2.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4142    0.2008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    1.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    3.6991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5948    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0024    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
M  END
>  <Mol_ID> (1,600)
3979

>  <Formula> (1,600)
C3H8ClNO2S

>  <MolWeight> (1,600)
157.61912

>  <Item Name> (1,600)
L-Cysteine HCl

>  <Catalog Number> (1,600)
S4815

>  <Synonyms> (1,600)
N/A

>  <Target> (1,600)
Others

>  <Form> (1,600)
hydrochloride 

>  <URL> (1,600)
http://selleckchem.com/products/l-cysteine-hcl.html

>  <CAS Number> (1,600)
52-89-1

$$$$
S4816 Diatrizoate sodium.cdx
csChFnd80/07171813032D

 21 20  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    7.2746    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 I   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
    3.6373    3.5000    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
    2.4249    1.4000    0.0000 N   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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    6.3392    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,601)
3980

>  <Formula> (1,601)
C11H8I3N2NaO4

>  <MolWeight> (1,601)
635.8954

>  <Item Name> (1,601)
Diatrizoate sodium

>  <Catalog Number> (1,601)
S4816

>  <Synonyms> (1,601)
amidotrizoate sodium, Hypaque sodium, Triombrin

>  <Target> (1,601)
Others

>  <URL> (1,601)
http://selleckchem.com/products/diatrizoate-sodium.html

>  <CAS Number> (1,601)
737-31-5

$$$$
S4819 Saccharin.cdx
csChFnd80/07171813032D

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.4266    1.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7471    1.2832    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    1.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7457    3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162    3.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5721    2.3956    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9538    0.5734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1898    4.8691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0014    3.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  5  7  1  0  0  0  0
  6 12  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (1,602)
3982

>  <Formula> (1,602)
C7H5NO3S

>  <MolWeight> (1,602)
183.1845

>  <Item Name> (1,602)
Saccharin

>  <Catalog Number> (1,602)
S4819

>  <Synonyms> (1,602)
Benzoic sulfimide, O-Sulfobenzimide, O-Benzoic sulfimide, Saccharimide

>  <Target> (1,602)
Others

>  <Form> (1,602)
free base

>  <URL> (1,602)
http://selleckchem.com/products/saccharin.html

>  <CAS Number> (1,602)
81-07-2

$$$$
>  <Mol_ID> (1,603)
3983

>  <Item Name> (1,603)
Diastase

>  <Catalog Number> (1,603)
S4820

>  <Synonyms> (1,603)
N/A

>  <Target> (1,603)
Others

>  <URL> (1,603)
http://selleckchem.com/products/diastase.html

>  <CAS Number> (1,603)
9000-92-4

$$$$
S4828 Sodium carbonate.cdx
csChFnd80/07171813032D

  6  5  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  1  2  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
>  <Mol_ID> (1,604)
3987

>  <Formula> (1,604)
CNa2O3

>  <MolWeight> (1,604)
105.98844

>  <Item Name> (1,604)
Sodium carbonate

>  <Catalog Number> (1,604)
S4828

>  <Synonyms> (1,604)
Disodium carbonate, Soda Ash, Carbonic acid disodium salt

>  <Target> (1,604)
Others

>  <URL> (1,604)
http://selleckchem.com/products/sodium-carbonate.html

>  <CAS Number> (1,604)
497-19-8

$$$$
S4830 Maltose.cdx
csChFnd80/07171813032D

 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> (1,605)
3989

>  <Formula> (1,605)
C12H22O11

>  <MolWeight> (1,605)
342.29648

>  <Item Name> (1,605)
Maltose

>  <Catalog Number> (1,605)
S4830

>  <Synonyms> (1,605)
maltobiose, malt sugar, Beta-maltose, D-Maltose

>  <Target> (1,605)
Others

>  <Form> (1,605)
free base

>  <URL> (1,605)
http://selleckchem.com/products/maltose.html

>  <CAS Number> (1,605)
 69-79-4

$$$$
S4831 Piperonyl butoxide.cdx
csChFnd80/07171813032D

 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> (1,606)
3990

>  <Formula> (1,606)
C19H30O5

>  <MolWeight> (1,606)
338.4385

>  <Item Name> (1,606)
Piperonyl butoxide

>  <Catalog Number> (1,606)
S4831

>  <Synonyms> (1,606)
Butacide, Ethanol butoxide, Pyrenone 606

>  <Target> (1,606)
Others

>  <URL> (1,606)
http://selleckchem.com/products/piperonyl-butoxide.html

>  <CAS Number> (1,606)
51-03-6

$$$$
S4832 Tolmetin.cdx
csChFnd80/07171813032D

 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> (1,607)
3991

>  <Formula> (1,607)
C15H15NO3

>  <MolWeight> (1,607)
257.2845

>  <Item Name> (1,607)
Tolmetin

>  <Catalog Number> (1,607)
S4832

>  <Synonyms> (1,607)
Tolectin

>  <Target> (1,607)
Immunology & Inflammation related

>  <Form> (1,607)
free base

>  <URL> (1,607)
http://selleckchem.com/products/tolmetin.html

>  <CAS Number> (1,607)
26171-23-3

$$$$
S4835 Aceclofenac.cdx
csChFnd80/07171813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 Cl  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
   10.9119    4.2000    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
  3  7  1  0  0  0  0
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  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (1,608)
3992

>  <Formula> (1,608)
C16H13Cl2NO4

>  <MolWeight> (1,608)
354.18472

>  <Item Name> (1,608)
Aceclofenac

>  <Catalog Number> (1,608)
S4835

>  <Synonyms> (1,608)
Preservex, Airtal

>  <Target> (1,608)
Immunology & Inflammation related

>  <Form> (1,608)
free base

>  <URL> (1,608)
http://selleckchem.com/products/aceclofenac.html

>  <CAS Number> (1,608)
89796-99-6

$$$$
S4839 Mosapride.cdx
csChFnd80/07171813032D

 29 31  0  0  0  0  0  0  0  0999 V2000
    3.6390    2.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6390    3.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.3996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    4.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0635    2.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2136    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8521    5.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2758    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0032    4.2041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0647    6.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4883    2.0999    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    9.7003    5.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9124    3.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3378    6.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1254    8.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378    7.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5502    8.4008    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
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 11 15  1  0  0  0  0
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 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (1,609)
3993

>  <Formula> (1,609)
C21H25ClFN3O3

>  <MolWeight> (1,609)
421.8929032

>  <Item Name> (1,609)
Mosapride

>  <Catalog Number> (1,609)
S4839

>  <Synonyms> (1,609)
N/A

>  <Target> (1,609)
5-HT Receptor

>  <URL> (1,609)
http://selleckchem.com/products/mosapride.html

>  <CAS Number> (1,609)
112885-41-3

$$$$
S4887 Nikethamide.cdx
csChFnd80/07171813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    2.1005    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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M  END
>  <Mol_ID> (1,610)
4006

>  <Formula> (1,610)
C10H14N2O

>  <MolWeight> (1,610)
178.23096

>  <Item Name> (1,610)
Nikethamide

>  <Catalog Number> (1,610)
S4887

>  <Synonyms> (1,610)
Corvin, Anacardone

>  <Target> (1,610)
Others

>  <Form> (1,610)
free base

>  <URL> (1,610)
http://selleckchem.com/products/nikethamide.html

>  <CAS Number> (1,610)
59-26-7

$$$$
S4897 Nortropine Hydrochloride.cdx
csChFnd80/07171813032D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5867    2.4524    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7933    1.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5867    4.9458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9023    2.4210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8867    3.3974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3209    2.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3270    3.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730    2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8650    1.2528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5423    4.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5943    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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  1  4  1  0  0  0  0
  1 10  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  6  0  0  0
M  END
>  <Mol_ID> (1,611)
4009

>  <Formula> (1,611)
C7H14ClNO

>  <MolWeight> (1,611)
163.64516

>  <Item Name> (1,611)
Nortropine Hydrochloride

>  <Catalog Number> (1,611)
S4897

>  <Synonyms> (1,611)
Nortropeno Hydrochloride

>  <Target> (1,611)
Others

>  <Form> (1,611)
hydrochloride

>  <URL> (1,611)
http://selleckchem.com/products/nortropine-hydrochloride.html

>  <CAS Number> (1,611)
14383-51-8

$$$$
S4898 Sulfalozine sodium.cdx
csChFnd80/07171813032D

 18 19  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
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 10 13  1  0  0  0  0
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 15 17  2  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (1,612)
4010

>  <Formula> (1,612)
C10H9ClN4O2S

>  <MolWeight> (1,612)
284.72206

>  <Item Name> (1,612)
Sulfalozine sodium

>  <Catalog Number> (1,612)
S4898

>  <Synonyms> (1,612)
sulfaclozine sodium, sulfachlopryrazine sodium

>  <Target> (1,612)
Anti-infection

>  <Form> (1,612)
free base

>  <URL> (1,612)
http://selleckchem.com/products/sulfalozine-sodium.html

>  <CAS Number> (1,612)
102-65-8

$$$$
S4899 Sulfogaiacol.cdx
csChFnd80/07171813032D

 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
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    5.6034    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0034    1.3967    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    1.4178    3.8054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0220    3.8054    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
  3  6  1  0  0  0  0
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M  END
>  <Mol_ID> (1,613)
4011

>  <Formula> (1,613)
C7H7KO5S

>  <MolWeight> (1,613)
242.29078

>  <Item Name> (1,613)
Sulfogaiacol

>  <Catalog Number> (1,613)
S4899

>  <Synonyms> (1,613)
guaiacolsulfonate

>  <Target> (1,613)
Others

>  <URL> (1,613)
http://selleckchem.com/products/sulfogaiacol.html

>  <CAS Number> (1,613)
1321-14-8

$$$$
S4975 Fimasartan.cdx
csChFnd80/07171813032D

 36 39  0  0  0  0  0  0  0  0999 V2000
    9.7115    3.5002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7104    6.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9203    5.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9215    4.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2890    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0768    4.1946    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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 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (1,614)
4028

>  <Formula> (1,614)
C27H31N7OS

>  <MolWeight> (1,614)
501.64634

>  <Item Name> (1,614)
Fimasartan

>  <Catalog Number> (1,614)
S4975

>  <Synonyms> (1,614)
Kanarb

>  <Target> (1,614)
RAAS

>  <Form> (1,614)
free base

>  <URL> (1,614)
http://selleckchem.com/products/fimasartan.html

>  <CAS Number> (1,614)
247257-48-3

$$$$
S5017 Oxyclozanide.cdx
csChFnd80/07171813032D

 22 23  0  0  0  0  0  0  0  0999 V2000
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  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  2  0  0  0  0
 15 17  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
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (1,615)
4030

>  <Formula> (1,615)
C13H6Cl5NO3

>  <MolWeight> (1,615)
401.45664

>  <Item Name> (1,615)
Oxyclozanide

>  <Catalog Number> (1,615)
S5017

>  <Synonyms> (1,615)
Oxiclozanidum, Zanil, Oxyclozanid, Zanilox

>  <Target> (1,615)
Anti-infection

>  <Form> (1,615)
free base

>  <URL> (1,615)
http://selleckchem.com/products/oxyclozanide.html

>  <CAS Number> (1,615)
2277-92-1

$$$$
S4847 Faropenem Sodium.cdx
csChFnd80/07171813032D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.8090    3.5085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    2.0886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1651    3.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    3.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    2.0886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1651    1.6567    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9614    2.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5819    5.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4199    4.4814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    1.4123    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3627    2.8059    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6428    6.3521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9494    5.5707    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1326    3.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2115    1.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4662    3.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4662    2.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090    0.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2034    5.6131    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    6.3727    1.8160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 20  1  1  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  5 21  1  6  0  0  0
  6  7  1  0  0  0  0
 11  7  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  6  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  1  0  0  0  0
 11 23  1  6  0  0  0
M  END
>  <Mol_ID> (1,616)
4036

>  <Formula> (1,616)
C12H14NNaO5S

>  <MolWeight> (1,616)
307.29803

>  <Item Name> (1,616)
Faropenem Sodium

>  <Catalog Number> (1,616)
S4847

>  <Synonyms> (1,616)
N/A

>  <Target> (1,616)
Anti-infection

>  <URL> (1,616)
http://selleckchem.com/products/faropenem-sodium.html

>  <CAS Number> (1,616)
122547-49-3

$$$$
S5027 Mebeverine Hydrochloride.cdx
csChFnd80/07171813032D

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2374    2.2024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 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
 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
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  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
M  END
>  <Mol_ID> (1,617)
4041

>  <Formula> (1,617)
C25H36ClNO5

>  <MolWeight> (1,617)
466.01004

>  <Item Name> (1,617)
Mebeverine Hydrochloride

>  <Catalog Number> (1,617)
S5027

>  <Synonyms> (1,617)
Duspatalin Hydrochloride, Duspatal Hydrochloride, Colofac Hydrochloride

>  <Target> (1,617)
Others

>  <Form> (1,617)
hydrochloride 

>  <URL> (1,617)
http://selleckchem.com/products/mebeverine-hydrochlo.html

>  <CAS Number> (1,617)
 2753-45-9

$$$$
S5028 Dalfampridine4-Aminopyridine.cdx
csChFnd80/07171813032D

  7  7  0  0  0  0  0  0  0  0999 V2000
    1.1993    2.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    2.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    0.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0120    0.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,618)
4042

>  <Formula> (1,618)
C5H6N2

>  <MolWeight> (1,618)
94.11454

>  <Item Name> (1,618)
4-Aminopyridine

>  <Catalog Number> (1,618)
S5028

>  <Synonyms> (1,618)
fampridine, dalfampridine

>  <Target> (1,618)
Potassium Channel

>  <Form> (1,618)
free base

>  <URL> (1,618)
http://selleckchem.com/products/aminopyridine.html

>  <CAS Number> (1,618)
504-24-5

$$$$
QUTENZA (capsaicin).cdx
csChFnd80/07171813032D

 22 22  0  0  0  0  0  0  0  0999 V2000
    2.4291    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8624    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    4.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0748    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2915    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7164    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9288    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5661    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 12 22  2  0  0  0  0
M  END
>  <Mol_ID> (1,619)
4043

>  <Formula> (1,619)
C18H27NO3

>  <MolWeight> (1,619)
305.41188

>  <Item Name> (1,619)
Capsaicin

>  <Catalog Number> (1,619)
S1990

>  <Synonyms> (1,619)
Qutenza, Vanilloid

>  <Target> (1,619)
Others

>  <URL> (1,619)
http://www.selleckchem.com/products/Capsaicin(Qutenza).html

>  <CAS Number> (1,619)
404-86-4

$$$$
S4976 Sulfalene(SMPZ).cdx
csChFnd80/07171813032D

 19 20  0  0  0  0  0  0  0  0999 V2000
    3.6195    7.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    5.6116    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    7.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    7.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    4.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    5.6116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979    9.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8061    9.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    3.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    9.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110    4.2048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255   11.2334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    1.4028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    1.3969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    2.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (1,620)
4047

>  <Formula> (1,620)
C11H12N4O3S

>  <MolWeight> (1,620)
280.30298

>  <Item Name> (1,620)
Sulfalene(SMPZ)

>  <Catalog Number> (1,620)
S4976

>  <Synonyms> (1,620)
Butadiene sulfone, 3-Sulfolene

>  <Target> (1,620)
Others

>  <Form> (1,620)
free base

>  <URL> (1,620)
http://selleckchem.com/products/sulfalene-smpz.html

>  <CAS Number> (1,620)
152-47-6

$$$$
S5032 Mephenesin.cdx
csChFnd80/07171813032D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.4231    2.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4337    0.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    2.8092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2231    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8452    2.1108    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
    0.0071    0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    2.8010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2801    2.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0408    4.1697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608    2.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (1,621)
4053

>  <Formula> (1,621)
C10H14O3

>  <MolWeight> (1,621)
182.21636

>  <Item Name> (1,621)
Mephenesin

>  <Catalog Number> (1,621)
S5032

>  <Synonyms> (1,621)
Decontractyl, Cresoxydiol, Memphenesin, Mephedan

>  <Target> (1,621)
NMDAR

>  <Form> (1,621)
free base

>  <URL> (1,621)
http://selleckchem.com/products/mephenesin.html

>  <CAS Number> (1,621)
59-47-2

$$$$
S5042 Bevantolol hydrochloride.cdx
csChFnd80/07171813032D

 26 26  0  0  0  0  0  0  0  0999 V2000
   15.6701    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6701    2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4757    0.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8564    0.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4757    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8564    2.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2478    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0758    0.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2478    2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0758    2.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0533    2.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8589    2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6308    2.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4364    2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2338    2.8649    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0391    2.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2338    4.2433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7861    2.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    2.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    2.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4139    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2194    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2969    0.2183    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
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 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
M  END
>  <Mol_ID> (1,622)
4056

>  <Formula> (1,622)
C20H28ClNO4

>  <MolWeight> (1,622)
381.89362

>  <Item Name> (1,622)
Bevantolol hydrochloride

>  <Catalog Number> (1,622)
S5042

>  <Synonyms> (1,622)
NC-1400 hydrochloride

>  <Target> (1,622)
Adrenergic Receptor

>  <Form> (1,622)
hydrochloride 

>  <URL> (1,622)
http://selleckchem.com/products/bevantolol-hydrochloride.html

>  <CAS Number> (1,622)
42864-78-8

$$$$
Sodium valproate.cdx
csChFnd80/07171813032D

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
>  <Mol_ID> (1,623)
4062

>  <Formula> (1,623)
C8H15NaO2

>  <MolWeight> (1,623)
166.19327

>  <Item Name> (1,623)
Valproic acid sodium salt (Sodium valproate)

>  <Catalog Number> (1,623)
S1168

>  <Synonyms> (1,623)
N/A 

>  <Target> (1,623)
GABA Receptor, HDAC

>  <URL> (1,623)
http://www.selleckchem.com/products/Sodium-valproate.html

>  <CAS Number> (1,623)
1069-66-5, 99-66-1 (FREE BASE)

$$$$
S4623 5,5-Dimethyloxazolidine-2,4-dione.cdx
csChFnd80/07171813032D

  9  9  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
    4.7442    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
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
>  <Mol_ID> (1,624)
4063

>  <Formula> (1,624)
C5H7NO3

>  <MolWeight> (1,624)
129.11398

>  <Item Name> (1,624)
5,5-Dimethyloxazolidine-2,4-dione

>  <Catalog Number> (1,624)
S4624

>  <Synonyms> (1,624)
Dimethadione, Dimethyloxazolidinedione, Dimethadion

>  <Target> (1,624)
Others

>  <Form> (1,624)
free base

>  <URL> (1,624)
http://selleckchem.com/products/5-5-dimethyloxazolidine-2-4-dione.html

>  <CAS Number> (1,624)
695-53-4

$$$$
