ABT-888(Veliparib).cdx
csChFnd80/10082116052D

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ABT-888 (Veliparib)

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PARP 

>  <Form> (1)
Free Base

>  <CAS> (1)
912444-00-9

>  <URL> (1)
http://www.selleckchem.com/products/ABT-888.html

$$$$
untitled.cdx
csChFnd80/10082116052D

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Panobinostat (LBH589)

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HDAC 

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Free Base

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404950-80-7

>  <URL> (2)
http://www.selleckchem.com/products/LBH-589.html

$$$$
untitled.cdx
csChFnd80/10082116052D

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3

>  <Formula> (3)
C28H22F3N7O

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S1033

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Nilotinib (AMN-107)

>  <Synonyms> (3)
Tasigna 

>  <Target> (3)
Bcr-Abl

>  <Form> (3)
Free Base

>  <CAS> (3)
641571-10-0

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

$$$$
AR-42.cdx
csChFnd80/10082116052D

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4

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C18H20N2O3

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AR-42 (HDAC-42)

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OSU-HDAC42

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HDAC 

>  <Form> (4)
Free Base

>  <CAS> (4)
935881-37-1

>  <URL> (4)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

$$$$
vorinostat.cdx
csChFnd80/10082116052D

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Vorinostat (SAHA, MK0683)

>  <Synonyms> (5)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (5)
HDAC

>  <Form> (5)
Free Base

>  <CAS> (5)
149647-78-9

>  <URL> (5)
http://www.selleckchem.com/products/Vorinostat-(SAHA).html

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

>  <Formula> (6)
C23H28N8OS

>  <MolWeight> (6)
464.58642

>  <Cat> (6)
S1048

>  <Name> (6)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (6)
N/A 

>  <Target> (6)
Aurora Kinase

>  <Form> (6)
Free Base

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

>  <URL> (6)
http://www.selleckchem.com/products/VX-680(MK-0457).html

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

>  <Formula> (7)
C21H20N4O3

>  <MolWeight> (7)
376.4085

>  <Cat> (7)
S1053

>  <Name> (7)
Entinostat (MS-275, SNDX-275)

>  <Synonyms> (7)
SNDX-275

>  <Target> (7)
HDAC 

>  <Form> (7)
Free Base

>  <CAS> (7)
209783-80-2

>  <URL> (7)
http://www.selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
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>  <Mol_ID> (8)
8

>  <Formula> (8)
C32H29N5O2

>  <MolWeight> (8)
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>  <Cat> (8)
S1055

>  <Name> (8)
Enzastaurin (LY317615)

>  <Synonyms> (8)
N/A 

>  <Target> (8)
PKC 

>  <Form> (8)
Free Base

>  <CAS> (8)
170364-57-5

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

$$$$
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160003-66-7

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HDAC 

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783355-60-2

>  <URL> (12)
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>  <URL> (13)
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>  <Mol_ID> (14)
14

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C19H21FN3O5P

>  <MolWeight> (14)
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Rucaparib (AG-014699,PF-01367338) phosphate

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AG-014447 

>  <Target> (14)
PARP 

>  <Form> (14)
Phosphate

>  <CAS> (14)
459868-92-9

>  <URL> (14)
http://www.selleckchem.com/products/AG-014699.html

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>  <Mol_ID> (15)
15

>  <Formula> (15)
C25H15ClF2N4O2

>  <MolWeight> (15)
476.8620064

>  <Cat> (15)
S1100

>  <Name> (15)
MLN8054

>  <Synonyms> (15)
N/A

>  <Target> (15)
Aurora Kinase

>  <Form> (15)
Free Base

>  <CAS> (15)
869363-13-3

>  <URL> (15)
http://www.selleckchem.com/products/MLN8054.html

$$$$
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>  <Mol_ID> (16)
16

>  <Formula> (16)
C29H31N5O4

>  <MolWeight> (16)
513.58754

>  <Cat> (16)
S1103

>  <Name> (16)
ZM-447439

>  <Synonyms> (16)
N/A

>  <Target> (16)
Aurora Kinase

>  <Form> (16)
Free Base

>  <CAS> (16)
331771-20-1

>  <URL> (16)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
untitled.cdx
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>  <Mol_ID> (17)
17

>  <Formula> (17)
C26H30N6O3

>  <MolWeight> (17)
474.5548

>  <Cat> (17)
S1107

>  <Name> (17)
Danusertib (PHA-739358)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (17)
Free Base

>  <CAS> (17)
827318-97-8

>  <URL> (17)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
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18

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C28H39N7O3

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N/A

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PLK

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Free Base

>  <CAS> (18)
755038-02-9

>  <URL> (18)
http://www.selleckchem.com/products/BI-2536.html

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726169-73-9.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (19)
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>  <Formula> (19)
C23H20N6O

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Mocetinostat (MGCD0103)

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N/A 

>  <Target> (19)
HDAC 

>  <Form> (19)
Free Base

>  <CAS> (19)
726169-73-9

>  <URL> (19)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

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

>  <Formula> (20)
C25H24ClN7OS

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>  <Name> (20)
SRT1720 HCl

>  <Synonyms> (20)
N/A

>  <Target> (20)
Sirtuin

>  <Form> (20)
Hydrochloride

>  <CAS> (20)
1001645-58-4

>  <URL> (20)
http://www.selleckchem.com/products/SRT1720.html

$$$$
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>  <Mol_ID> (21)
21

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C7H8N2O

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N/A

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PARP 

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Free Base

>  <CAS> (21)
3544-24-9

>  <URL> (21)
http://www.selleckchem.com/products/INO-1001.html

$$$$
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Aurora Kinase

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Free Base

>  <CAS> (22)
1028486-01-2

>  <URL> (22)
http://www.selleckchem.com/products/MLN8237.html

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N/A

>  <Target> (23)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
896466-04-9

>  <URL> (23)
http://www.selleckchem.com/products/AT9283.html

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>  <Mol_ID> (24)
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>  <Formula> (24)
C17H14N2O3

>  <MolWeight> (24)
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AG-490 (Tyrphostin B42)

>  <Synonyms> (24)
N/A

>  <Target> (24)
JAK, EGFR

>  <Form> (24)
Free Base

>  <CAS> (24)
133550-30-8 

>  <URL> (24)
http://www.selleckchem.com/products/AG-490.html

$$$$
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C26H30FN7O3

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AZD1152 

>  <Target> (25)
Aurora Kinase

>  <Form> (25)
Free Base

>  <CAS> (25)
722544-51-6

>  <URL> (25)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
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CYC116

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Aurora Kinase, VEGFR

>  <Form> (26)
Free Base

>  <CAS> (26)
693228-63-6

>  <URL> (26)
http://www.selleckchem.com/products/CYC116.html

$$$$
XAV-939.cdx
csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (27)
27

>  <Formula> (27)
C14H11F3N2OS

>  <MolWeight> (27)
312.3101496

>  <Cat> (27)
S1180

>  <Name> (27)
XAV-939

>  <Synonyms> (27)
N/A 

>  <Target> (27)
Wnt/beta-catenin

>  <Form> (27)
Free Base

>  <CAS> (27)
284028-89-3

>  <URL> (27)
http://www.selleckchem.com/products/XAV-939.html

$$$$
ENMD-2076.cdx
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    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> (28)
28

>  <Formula> (28)
C21H25N7

>  <MolWeight> (28)
375.4701

>  <Cat> (28)
S1181

>  <Name> (28)
ENMD-2076

>  <Synonyms> (28)
N/A 

>  <Target> (28)
Flt, Aurora Kinase, VEGFR

>  <Form> (28)
Tartaric Acid 

>  <CAS> (28)
934353-76-1

>  <URL> (28)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/10082116052D

 32 34  0  0  0  0  0  0  0  0999 V2000
   14.5113    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C24H26N4O4

>  <MolWeight> (29)
434.48764

>  <Cat> (29)
S1194

>  <Name> (29)
CUDC-101

>  <Synonyms> (29)
N/A

>  <Target> (29)
HDAC, EGFR, HER2

>  <Form> (29)
Free Base

>  <CAS> (29)
1012054-59-9

>  <URL> (29)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/10082116052D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2124    3.2474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
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M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C8H12N4O4

>  <MolWeight> (30)
228.20528

>  <Cat> (30)
S1200

>  <Name> (30)
Decitabine

>  <Synonyms> (30)
Dacogen

>  <Target> (30)
DNA/RNA Synthesis

>  <Form> (30)
Free Base

>  <CAS> (30)
2353-33-5

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

$$$$
Adriamycin (Doxorubicin Hydrochloride).cdx
csChFnd80/10082116052D

 41 44  0  0  0  0  0  0  0  0999 V2000
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 22 40  1  1  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C27H30ClNO11

>  <MolWeight> (31)
579.9802

>  <Cat> (31)
S1208

>  <Name> (31)
Doxorubicin (Adriamycin) HCl

>  <Synonyms> (31)
N/A 

>  <Target> (31)
Topoisomerase

>  <Form> (31)
Hydrochloride

>  <CAS> (31)
25316-40-9

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

$$$$
Adrucil (Fluorouracil).cdx
csChFnd80/10082116052D

  9  9  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 N   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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M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C4H3FN2O2

>  <MolWeight> (32)
130.0772232

>  <Cat> (32)
S1209

>  <Name> (32)
Adrucil (Fluorouracil)

>  <Synonyms> (32)
5-FU, Carac, Efudex, Fluoroplex 

>  <Target> (32)
DNA/RNA Synthesis

>  <Form> (32)
Free Base

>  <CAS> (32)
51-21-8

>  <URL> (32)
http://www.selleckchem.com/products/Adrucil(Fluorouracil).html

$$$$
Etoposide.cdx
csChFnd80/10082116052D

 47 53  0  0  0  0  0  0  0  0999 V2000
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   12.2350    5.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3976    0.0000 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
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  5  6  1  0  0  0  0
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 16  2  1  0  0  0  0
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 25 26  1  0  0  0  0
 22 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
  2 30  1  6  0  0  0
  3 31  1  1  0  0  0
 31 32  1  0  0  0  0
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 36 40  1  1  0  0  0
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 44 35  1  0  0  0  0
 34 45  1  6  0  0  0
 35 46  1  1  0  0  0
 43 47  1  6  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C29H32O13

>  <MolWeight> (33)
588.55658

>  <Cat> (33)
S1225

>  <Name> (33)
Etoposide (VP-16)
Etoposide

>  <Synonyms> (33)
Vepesid 

>  <Target> (33)
Topoisomerase

>  <Form> (33)
Free Base

>  <CAS> (33)
33419-42-0

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

$$$$
2-Methoxyestradiol.cdx
csChFnd80/10082116052D

 25 28  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
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    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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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
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 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 10 21  1  6  0  0  0
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 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C19H26O3

>  <MolWeight> (34)
302.40794

>  <Cat> (34)
S1233

>  <Name> (34)
2-Methoxyestradiol

>  <Synonyms> (34)
2-ME2

>  <Target> (34)
HIF

>  <Form> (34)
Free Base

>  <CAS> (34)
362-07-2

>  <URL> (34)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
Methazolastone (Temozolomide).cdx
csChFnd80/10082116052D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C6H6N6O2

>  <MolWeight> (35)
194.15084

>  <Cat> (35)
S1237

>  <Name> (35)
Temozolomide

>  <Synonyms> (35)
Methazolastone, Temodar, Temodal

>  <Target> (35)
DNA/RNA Synthesis

>  <Form> (35)
Free Base

>  <CAS> (35)
85622-93-1

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

$$$$
JNJ-7706621.cdx
csChFnd80/10082116052D

 27 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C15H12F2N6O3S

>  <MolWeight> (36)
394.3559864

>  <Cat> (36)
S1249

>  <Name> (36)
JNJ-7706621

>  <Synonyms> (36)
N/A 

>  <Target> (36)
CDK, Aurora Kinase

>  <Form> (36)
Free Base

>  <CAS> (36)
443797-96-4

>  <URL> (36)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C6H6N2O

>  <MolWeight> (37)
122.12464

>  <Cat> (37)
S1899

>  <Name> (37)
Nicotinamide (Vitamin B3)

>  <Synonyms> (37)
Niacinamide

>  <Target> (37)
Sirtuin

>  <Form> (37)
Free Base

>  <CAS> (37)
98-92-0

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

$$$$
resveratrol.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C14H12O3

>  <MolWeight> (38)
228.24328

>  <Cat> (38)
S1396

>  <Name> (38)
Resveratrol

>  <Synonyms> (38)
N/A

>  <Target> (38)
Sirtuin

>  <Form> (38)
Free Base

>  <CAS> (38)
501-36-0

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

$$$$
Droxinostat.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C11H14ClNO3

>  <MolWeight> (39)
243.68676

>  <Cat> (39)
S1422

>  <Name> (39)
Droxinostat

>  <Synonyms> (39)
N/A

>  <Target> (39)
HDAC 

>  <Form> (39)
Free Base

>  <CAS> (39)
99873-43-5

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/10082116052D

 42 46  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C31H31ClFN7O2

>  <MolWeight> (40)
588.0749432

>  <Cat> (40)
S1451

>  <Name> (40)
Aurora A Inhibitor I

>  <Synonyms> (40)
N/A

>  <Target> (40)
Aurora Kinase

>  <Form> (40)
Free Base

>  <CAS> (40)
1158838-45-9

>  <URL> (40)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/10082116052D

 37 41  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (46)
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PARP

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934162-61-5

>  <URL> (46)
http://www.selleckchem.com/products/A-966492.html

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

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>  <Synonyms> (47)
N/A

>  <Target> (47)
Aurora Kinase

>  <Form> (47)
Free Base

>  <CAS> (47)
422513-13-1

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

$$$$
EX527.cdx
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>  <Mol_ID> (48)
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>  <Formula> (48)
C13H13ClN2O

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EX 527

>  <Synonyms> (48)
SEN0014196

>  <Target> (48)
Sirtuin

>  <Form> (48)
Free Base

>  <CAS> (48)
49843-98-3

>  <URL> (48)
http://www.selleckchem.com/products/EX-527.html

$$$$
BMS777607.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (49)
49

>  <Formula> (49)
C25H19ClF2N4O4

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S1561

>  <Name> (49)
BMS 777607

>  <Synonyms> (49)
N/A 

>  <Target> (49)
c-Met

>  <Form> (49)
Free Base

>  <CAS> (49)
1025720-94-8

>  <URL> (49)
http://www.selleckchem.com/products/BMS-777607.html

$$$$
Fasudil HCl.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (50)
50

>  <Formula> (50)
C14H18ClN3O2S

>  <MolWeight> (50)
327.82962

>  <Cat> (50)
S1573

>  <Name> (50)
Fasudil HCl (HA-1077)

>  <Synonyms> (50)
AT-877 

>  <Target> (50)
ROCK

>  <Form> (50)
Hydrochloride

>  <CAS> (50)
105628-07-7

>  <URL> (50)
http://www.selleckchem.com/products/Fasudil-HCl(HA-1077).html

$$$$

csChFnd80/10082116052D

 38 41  0  0  0  0  0  0  0  0999 V2000
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    5.2249  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -13.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373  -11.1902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -13.9902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -13.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0745  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8622  -11.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6498   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -9.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2829  -11.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8580   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167   -6.9975    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4373   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2249   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5618  -11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4986  -10.7217    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7985   -9.5092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4292   -9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8861  -10.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4153  -12.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8024  -12.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6603  -11.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1311   -9.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7440   -9.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8926   -8.3950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4926   -8.3950    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
  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
  9 17  1  0  0  0  0
 13 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 17 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 17  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C27H30Cl2F2N6O

>  <MolWeight> (51)
563.4695064

>  <Cat> (51)
S2686

>  <Name> (51)
NVP-BSK805 2HCl

>  <Synonyms> (51)
N/A

>  <Target> (51)
JAK

>  <Form> (51)
HCl

>  <CAS> (51)
1092499-93-8 (free base)

>  <URL> (51)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
GEMCITABINE (gemcitabine).cdx
csChFnd80/10082116052D

 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> (52)
52

>  <Formula> (52)
C9H11F2N3O4

>  <MolWeight> (52)
263.1981464

>  <Cat> (52)
S1714

>  <Name> (52)
Gemcitabine (Gemzar)

>  <Synonyms> (52)
Gemzar

>  <Target> (52)
Autophagy,DNA/RNA Synthesis

>  <Form> (52)
Free Base

>  <CAS> (52)
95058-81-4 

>  <URL> (52)
http://www.selleckchem.com/products/Gemcitabine(Gemzar).html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/10082116052D

 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> (53)
53

>  <Formula> (53)
C16H31NaO4

>  <MolWeight> (53)
310.40471

>  <Cat> (53)
S1703

>  <Name> (53)
Divalproex sodium

>  <Synonyms> (53)
Depakote, Epival

>  <Target> (53)
HDAC

>  <Form> (53)
Sodium Salt

>  <CAS> (53)
76584-70-8

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

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/10082116052D

 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> (54)
54

>  <Formula> (54)
C5H5N5S

>  <MolWeight> (54)
167.1917

>  <Cat> (54)
S1774

>  <Name> (54)
Thioguanine

>  <Synonyms> (54)
6-Thioguanine

>  <Target> (54)
Others

>  <Form> (54)
Free Base

>  <CAS> (54)
154-42-7

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/10082116052D

 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> (55)
55

>  <Formula> (55)
C8H12N4O5

>  <MolWeight> (55)
244.20468

>  <Cat> (55)
S1782

>  <Name> (55)
Azacitidine (Vidaza)

>  <Synonyms> (55)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (55)
DNA/RNA Synthesis

>  <Form> (55)
Free Base

>  <CAS> (55)
320-67-2

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

$$$$
VUMON (teniposide).cdx
csChFnd80/10082116052D

 47 54  0  0  0  0  0  0  0  0999 V2000
   10.6902    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6902    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9026    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4777    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6902    4.1903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9026    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1108    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1108    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5357    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7439    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
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>  <Mol_ID> (56)
56

>  <Formula> (56)
C32H32O13S

>  <MolWeight> (56)
656.65368

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Teniposide (Vumon)

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Vumon, VM-26, Vehem, NSC 122819 

>  <Target> (56)
Topoisomerase

>  <Form> (56)
Free Base

>  <CAS> (56)
29767-20-2

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

$$$$
Baricitinib.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (57)
57

>  <Formula> (57)
C16H17N7O2S

>  <MolWeight> (57)
371.41688

>  <Cat> (57)
S2851

>  <Name> (57)
Baricitinib (LY3009104)

>  <Synonyms> (57)
INCB 28050

>  <Target> (57)
JAK

>  <Form> (57)
Free Base

>  <CAS> (57)
1187594-09-7

>  <URL> (57)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/10082116052D

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58

>  <Formula> (58)
C4H12ClN5

>  <MolWeight> (58)
165.62458

>  <Cat> (58)
S1950

>  <Name> (58)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (58)
Glucophage, Riomet, Diabex

>  <Target> (58)
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>  <Form> (58)
Hydrochloride

>  <CAS> (58)
1115-70-4

>  <URL> (58)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
PENETREX (enoxacin).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (59)
59

>  <Formula> (59)
C15H17FN4O3

>  <MolWeight> (59)
320.3188832

>  <Cat> (59)
S1756

>  <Name> (59)
Enoxacin (Penetrex)

>  <Synonyms> (59)
Almitil, Bactidan, Bactidron, Comprecin, Enoksetin, Enoxen, Enroxil, Enoxin, Enoxor, Flumark, Gyrami 

>  <Target> (59)
Topoisomerase

>  <Form> (59)
Free Base

>  <CAS> (59)
74011-58-8

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

$$$$
PCI-34051.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (60)
60

>  <Formula> (60)
C17H16N2O3

>  <MolWeight> (60)
296.32054

>  <Cat> (60)
S2012

>  <Name> (60)
PCI-34051

>  <Synonyms> (60)
N/A

>  <Target> (60)
HDAC 

>  <Form> (60)
Free Base

>  <CAS> (60)
950762-95-5

>  <URL> (60)
http://www.selleckchem.com/products/pci-34051.html

$$$$
RG108.cdx
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48208-26-0

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1339928-25-4

>  <URL> (62)
http://www.selleckchem.com/products/cudc-907.html

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c-Met, FGFR, PDGFR

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917879-39-1

>  <URL> (63)
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251456-60-7 

>  <URL> (64)
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871026-44-7

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http://www.selleckchem.com/products/tak-285.html

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Tasocitinib 

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JAK

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Free Base

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477600-75-2

>  <URL> (66)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

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>  <Mol_ID> (67)
67

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JAK 

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Free Base

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857064-38-1

>  <URL> (67)
http://www.selleckchem.com/products/wp1066.html

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Bufexamac.cdx
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HDAC 

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2438-72-4

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

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PKC 

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425637-18-9

>  <URL> (69)
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70

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C26H22N2O2

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Sirtinol

>  <Synonyms> (70)
N/A 

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Sirtuin 

>  <Form> (70)
Free Base

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410536-97-9

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

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>  <Mol_ID> (71)
71

>  <Formula> (71)
C24H26N6O2S

>  <MolWeight> (71)
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S2806

>  <Name> (71)
CEP33779

>  <Synonyms> (71)
N/A

>  <Target> (71)
JAK

>  <Form> (71)
Free Base

>  <CAS> (71)
1257704-57-6

>  <URL> (71)
http://www.selleckchem.com/products/cep33779.html

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CI994.cdx
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C15H15N3O2

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CI994 (Tacedinaline)

>  <Synonyms> (72)
PD-123654 

>  <Target> (72)
HDAC

>  <Form> (72)
Free Base

>  <CAS> (72)
112522-64-2

>  <URL> (72)
http://www.selleckchem.com/products/ci994-tacedinaline.html

$$$$
Quercetin.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (73)
73

>  <Formula> (73)
C15H10O7

>  <MolWeight> (73)
302.2357

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>  <Name> (73)
Quercetin (Sophoretin)

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Meletin, Quercetine

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PI3K, PKC, Src, Sirtuin

>  <Form> (73)
Free Base

>  <CAS> (73)
117-39-5

>  <URL> (73)
http://www.selleckchem.com/products/Quercetin(Sophoretin).html

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1000669-72-6

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Chloride

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732302-99-7

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328543-09-5

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1025065-69-3

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JAK

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Free Base

>  <CAS> (80)
905586-69-8

>  <URL> (80)
http://www.selleckchem.com/products/AZ-960.html

$$$$
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HER2

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366017-09-6

>  <URL> (81)
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$$$$
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JAK 

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1056634-68-4

>  <URL> (82)
http://www.selleckchem.com/products/Cyt387.html

$$$$
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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
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 12  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 17  1  0  0  0  0
 14 23  1  6  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
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 22 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C22H18O11

>  <MolWeight> (83)
458.37172

>  <Cat> (83)
S2250

>  <Name> (83)
(-)-Epigallocatechin gallate

>  <Synonyms> (83)
EGCG

>  <Target> (83)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (83)
Free Base

>  <CAS> (83)
989-51-5

>  <URL> (83)
http://www.selleckchem.com/products/(-)-Epigallocatechin-gallate.html

$$$$
Berberine  Hydrochloride.cdx
csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7357    7.2295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1662    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7739    8.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6214    0.0802    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C20H18ClNO4

>  <MolWeight> (84)
371.81422

>  <Cat> (84)
S2271

>  <Name> (84)
Berberine chloride

>  <Synonyms> (84)
N/A

>  <Target> (84)
Antifection

>  <Form> (84)
chloride

>  <CAS> (84)
633-65-8

>  <URL> (84)
http://www.selleckchem.com/products/Berberine-Hydrochloride.html

$$$$
Chlorogenic acid.cdx
csChFnd80/10082116052D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2082    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  6  0  0  0
  4  9  1  1  0  0  0
  6 10  1  1  0  0  0
  6 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 14 25  2  0  0  0  0
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C16H18O9

>  <MolWeight> (85)
354.30872

>  <Cat> (85)
S2280

>  <Name> (85)
Chlorogenic acid

>  <Synonyms> (85)
N/A

>  <Target> (85)
Others

>  <Form> (85)
Free Base

>  <CAS> (85)
327-97-9

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

$$$$
Fisetin.cdx
csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C15H10O6

>  <MolWeight> (86)
286.2363

>  <Cat> (86)
S2298

>  <Name> (86)
Fisetin (Fustel)

>  <Synonyms> (86)
Fustel, Viset

>  <Target> (86)
Sirtuin

>  <Form> (86)
Free Base

>  <CAS> (86)
528-48-3

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

$$$$
Myricitrin.cdx
csChFnd80/10082116052D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    1.3951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    2.0951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    3.4951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6869    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 24 14  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  6  0  0  0
 28 31  1  6  0  0  0
 27 32  1  1  0  0  0
 26 33  1  6  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C21H20O12

>  <MolWeight> (87)
464.3763

>  <Cat> (87)
S2327

>  <Name> (87)
Myricitrin (Myricitrine)

>  <Synonyms> (87)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (87)
PKC

>  <Form> (87)
Free Base

>  <CAS> (87)
17912-87-7

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

$$$$
Parthenolide.cdx
csChFnd80/10082116052D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    3.4240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4249    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    3.4240    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    4.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.3546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3207    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8901    2.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2548    2.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0183    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  1  0  0  0
  5 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C15H20O3

>  <MolWeight> (88)
248.3175

>  <Cat> (88)
S2341

>  <Name> (88)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (88)
N/A 

>  <Target> (88)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (88)
Free Base

>  <CAS> (88)
20554-84-1

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

$$$$
Quercetin dihydrate.cdx
csChFnd80/10082116052D

 24 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    7.6879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1496    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7497    3.8440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C15H14O9

>  <MolWeight> (89)
338.26626

>  <Cat> (89)
S2347

>  <Name> (89)
Quercetin dihydrate (Sophoretin)

>  <Synonyms> (89)
Sophoretin, Meletin, Quercetine, Xanthaurine, Quercetol, Quercitin 

>  <Target> (89)
Others

>  <Form> (89)
Dihydrate

>  <CAS> (89)
6151-25-3

>  <URL> (89)
http://www.selleckchem.com/products/Quercetin-dihydrate(Sophoretin).html

$$$$
Curcumol.cdx
csChFnd80/10082116052D

 18 20  0  0  0  0  0  0  0  0999 V2000
    1.2570    4.6741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570    3.2741    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3515    2.4012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    2.7128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    3.9741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7164    5.2355    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3515    5.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596    1.1533    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    5.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    3.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    2.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4166    5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5863    6.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445    3.9741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    4.2455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  1  0  0  0  0
  1 11  2  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
  2 17  1  6  0  0  0
  6 18  1  1  0  0  0
  3 18  1  1  0  0  0
M  END
>  <Mol_ID> (90)
90

>  <Formula> (90)
C15H24O2

>  <MolWeight> (90)
236.34986

>  <Cat> (90)
S2407

>  <Name> (90)
Curcumol

>  <Synonyms> (90)
N/A

>  <Target> (90)
JAK

>  <Form> (90)
Free Base

>  <CAS> (90)
4871-97-0

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

$$$$
Fenbendazole.cdx
csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4248    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6019    2.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8199    1.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5199    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
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 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
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (91)
91

>  <Formula> (91)
C15H13N3O2S

>  <MolWeight> (91)
299.34762

>  <Cat> (91)
S2468

>  <Name> (91)
Fenbendazole (Panacur)

>  <Synonyms> (91)
 Panacur, Safe-Guard

>  <Target> (91)
Antifection

>  <Form> (91)
Free Base

>  <CAS> (91)
43210-67-9

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

$$$$
PCI-32765.cdx
csChFnd80/10082116052D

 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
    6.5245    0.0208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2064    1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4884    2.4454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0886    2.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4067    1.2019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9012    3.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7564    4.5892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    3.7495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2984    4.1623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   14.0669    8.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0127    9.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6878    9.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4172    7.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 16  1  0  0  0  0
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 23 24  1  0  0  0  0
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M  END
>  <Mol_ID> (92)
92

>  <Formula> (92)
C25H24N6O2

>  <MolWeight> (92)
440.49706

>  <Cat> (92)
S2680

>  <Name> (92)
PCI-32765 (Ibrutinib)

>  <Synonyms> (92)
N/A

>  <Target> (92)
Src

>  <Form> (92)
Free Base

>  <CAS> (92)
936563-96-1

>  <URL> (92)
http://www.selleckchem.com/products/pci-32765.html

$$$$
TAK-901.cdx
csChFnd80/10082116052D

 36 40  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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>  <Synonyms> (93)
N/A

>  <Target> (93)
Aurora Kinase

>  <Form> (93)
Free Base

>  <CAS> (93)
934541-31-8

>  <URL> (93)
http://www.selleckchem.com/products/tak-901.html

$$$$
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>  <Mol_ID> (94)
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>  <Formula> (94)
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>  <MolWeight> (94)
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>  <Synonyms> (94)
N/A

>  <Target> (94)
Flt, JAK, c-RET

>  <Form> (94)
Free Base

>  <CAS> (94)
936091-14-4

>  <URL> (94)
http://www.selleckchem.com/products/tg101209.html

$$$$
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>  <Mol_ID> (95)
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>  <Formula> (95)
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>  <MolWeight> (95)
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>  <Cat> (95)
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>  <Name> (95)
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>  <Synonyms> (95)
N/A

>  <Target> (95)
Aurora Kinase

>  <Form> (95)
Free Base

>  <CAS> (95)
945595-80-2

>  <URL> (95)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (96)
96

>  <Formula> (96)
C22H30Cl2N4O6

>  <MolWeight> (96)
517.4028

>  <Cat> (96)
S2485

>  <Name> (96)
Mitoxantrone 2HCl

>  <Synonyms> (96)
NSC-301739

>  <Target> (96)
Topoisomerase

>  <Form> (96)
Dihydrochloride

>  <CAS> (96)
70476-82-3

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

$$$$
CP-690550 citrate.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (97)
97

>  <Formula> (97)
C22H28N6O8

>  <MolWeight> (97)
504.49312

>  <Cat> (97)
S5001

>  <Name> (97)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (97)
N/A 

>  <Target> (97)
JAK

>  <Form> (97)
Citrate

>  <CAS> (97)
540737-29-9

>  <URL> (97)
http://www.selleckchem.com/products/CP-690550.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (98)
98

>  <Formula> (98)
C10H16ClN5

>  <MolWeight> (98)
241.72054

>  <Cat> (98)
S2542

>  <Name> (98)
Phenformin hydrochloride 

>  <Synonyms> (98)
N/A

>  <Target> (98)
AMPK

>  <Form> (98)
Hydrochloride 

>  <CAS> (98)
834-28-6

>  <URL> (98)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
PF-00562271.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (99)
99

>  <Formula> (99)
C27H26F3N7O6S2

>  <MolWeight> (99)
665.6638496

>  <Cat> (99)
S2672

>  <Name> (99)
PF-00562271

>  <Synonyms> (99)
N/A

>  <Target> (99)
FAK

>  <Form> (99)
Benzenesulfonic

>  <CAS> (99)
939791-38-5

>  <URL> (99)
http://www.selleckchem.com/products/pf-00562271.html

$$$$
BMS-754807.cdx
csChFnd80/10082116052D

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N/A 

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IGF-1R

>  <Form> (100)
Free Base

>  <CAS> (100)
1001350-96-4

>  <URL> (100)
http://www.selleckchem.com/products/BMS-754807.html

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937174-76-0.cdx
csChFnd80/10082116052D

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101

>  <Formula> (101)
C21H27N7O3

>  <MolWeight> (101)
425.48418

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S1113

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GSK690693

>  <Synonyms> (101)
N/A

>  <Target> (101)
Akt

>  <Form> (101)
Free Base

>  <CAS> (101)
937174-76-0

>  <URL> (101)
http://www.selleckchem.com/products/GSK690693.html

$$$$
Curcumin.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (102)
102

>  <Formula> (102)
C21H20O6

>  <MolWeight> (102)
368.3799

>  <Cat> (102)
S1848

>  <Name> (102)
Curcumin

>  <Synonyms> (102)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (102)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (102)
Free Base

>  <CAS> (102)
458-37-7

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

$$$$
ICG001.cdx
csChFnd80/10082116052D

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103

>  <Formula> (103)
C33H32N4O4

>  <MolWeight> (103)
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>  <Cat> (103)
S2662

>  <Name> (103)
ICG-001

>  <Synonyms> (103)
N/A

>  <Target> (103)
Wnt/beta-catenin

>  <Form> (103)
Free Base

>  <CAS> (103)
780757-88-2

>  <URL> (103)
http://www.selleckchem.com/products/icg-001.html

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A769662.cdx
csChFnd80/10082116052D

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Aurora Kinase

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942918-07-2

>  <URL> (105)
http://www.selleckchem.com/products/gsk1070916.html

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JAK 

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936091-26-8

>  <URL> (106)
http://www.selleckchem.com/products/tg-101348.html

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Adrenergic Receptor

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72956-09-3

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

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 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C22H21ClFN3O3S

>  <MolWeight> (108)
461.9368432

>  <Cat> (108)
S2770

>  <Name> (108)
MK-5108 (VX-689)

>  <Synonyms> (108)
N/A 

>  <Target> (108)
Aurora Kinase

>  <Form> (108)
Free Base

>  <CAS> (108)
1010085-13-8

>  <URL> (108)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10082116052D

 26 28  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
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M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C20H22ClN3O2

>  <MolWeight> (109)
371.86058

>  <Cat> (109)
S2627

>  <Name> (109)
Tubastatin A hydrochloride

>  <Synonyms> (109)
N/A

>  <Target> (109)
HDAC

>  <Form> (109)
Hydrochloride

>  <CAS> (109)
1310693-92-5

>  <URL> (109)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
Paeoniflorin.cdx
csChFnd80/10082116052D

 36 41  0  0  0  0  0  0  0  0999 V2000
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 13  9  1  1  0  0  0
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M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C23H28O11

>  <MolWeight> (110)
480.46182

>  <Cat> (110)
S2410

>  <Name> (110)
Paeoniflorin

>  <Synonyms> (110)
N/A

>  <Target> (110)
Others

>  <Form> (110)
Free Base

>  <CAS> (110)
23180-57-6 

>  <URL> (110)
http://www.selleckchem.com/products/paeoniflorin.html

$$$$
Entacapone.cdx
csChFnd80/10082116052D

 22 22  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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 10 11  1  0  0  0  0
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 21 22  3  0  0  0  0
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M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C14H15N3O5

>  <MolWeight> (111)
305.286

>  <Cat> (111)
S3147

>  <Name> (111)
Entacapone

>  <Synonyms> (111)
N/A 

>  <Target> (111)
Histone Methyltransferase

>  <Form> (111)
Free Base

>  <CAS> (111)
130929-57-6

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

$$$$
WHI-P154.cdx
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 15 16  1  0  0  0  0
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M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C16H14BrN3O3

>  <MolWeight> (112)
376.20466

>  <Cat> (112)
S2867

>  <Name> (112)
WHI-P154

>  <Synonyms> (112)
N/A

>  <Target> (112)
JAK, EGFR

>  <Form> (112)
Free Base

>  <CAS> (112)
211555-04-3

>  <URL> (112)
http://www.selleckchem.com/products/whi-p154.html

$$$$
PF-562271.cdx
csChFnd80/10082116052D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Form> (113)
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>  <CAS> (113)
717907-75-0

>  <URL> (113)
http://www.selleckchem.com/products/pf-562271.html

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>  <Formula> (114)
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>  <MolWeight> (114)
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>  <Synonyms> (114)
N/A

>  <Target> (114)
JAK

>  <Form> (114)
Free Base

>  <CAS> (114)
941685-37-6

>  <URL> (114)
http://www.selleckchem.com/products/s-ruxolitinib.html

$$$$
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>  <Mol_ID> (115)
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>  <Formula> (115)
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>  <Target> (115)
PKC

>  <Form> (115)
Free Base

>  <CAS> (115)
133053-19-7

>  <URL> (115)
http://www.selleckchem.com/products/go-6983.html

$$$$
IOX2.cdx
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>  <Formula> (116)
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>  <MolWeight> (116)
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>  <Target> (116)
HIF

>  <Form> (116)
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>  <CAS> (116)
931398-72-0

>  <URL> (116)
http://www.selleckchem.com/products/iox2.html

$$$$
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M  END
>  <Mol_ID> (117)
117

>  <Formula> (117)
C10H13FN2O5

>  <MolWeight> (117)
260.2190232

>  <Cat> (117)
S3001

>  <Name> (117)
Clevudine (Levovir)

>  <Synonyms> (117)
N/A

>  <Target> (117)
Others

>  <Form> (117)
Free Base

>  <CAS> (117)
163252-36-6

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

$$$$
aicar.cdx
csChFnd80/10082116052D

 18 19  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (118)
118

>  <Formula> (118)
C9H14N4O5

>  <MolWeight> (118)
258.23126

>  <Cat> (118)
S1802

>  <Name> (118)
AICAR (Acadesine)

>  <Synonyms> (118)
AICAR, AICA-riboside

>  <Target> (118)
AMPK

>  <Form> (118)
Free Base

>  <CAS> (118)
2627-69-2

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

$$$$
PF-06405761.cdx
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (119)
119

>  <Formula> (119)
C16H17N3O4S

>  <MolWeight> (119)
347.38888

>  <Cat> (119)
S1216

>  <Name> (119)
PFI-1(PF-6405761) 

>  <Synonyms> (119)
PF-06405761

>  <Target> (119)
Epigenetic Reader Domain

>  <Form> (119)
Free Base

>  <CAS> (119)
1403764-72-6

>  <URL> (119)
http://www.selleckchem.com/products/pfl-1.html

$$$$
procaine hydrochloride.cdx
csChFnd80/10082116052D

 18 17  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (120)
120

>  <Formula> (120)
C13H21ClN2O2

>  <MolWeight> (120)
272.77104

>  <Cat> (120)
S4023

>  <Name> (120)
Procaine (Novocaine) HCl

>  <Synonyms> (120)
N/A

>  <Target> (120)
Sodium Channel

>  <Form> (120)
HCl

>  <CAS> (120)
18756

>  <URL> (120)
http://www.selleckchem.com/products/procaine-novocaine-hcl.html

$$$$
Tolcapone.cdx
csChFnd80/10082116052D

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C14H11NO5

>  <MolWeight> (121)
273.24084

>  <Cat> (121)
S4021

>  <Name> (121)
Tolcapone

>  <Synonyms> (121)
N/A

>  <Target> (121)
Transferase

>  <Form> (121)
Free Base

>  <CAS> (121)
134308-13-7

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

$$$$
SC-514.cdx
csChFnd80/10082116052D

 14 15  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C9H8N2OS2

>  <MolWeight> (122)
224.30262

>  <Cat> (122)
S4907

>  <Name> (122)
SC-514 

>  <Synonyms> (122)
N/A

>  <Target> (122)
I¦ÊB/IKK

>  <Form> (122)
Free Base

>  <CAS> (122)
354812-17-2

>  <URL> (122)
http://www.selleckchem.com/products/sc-514.html

$$$$
Pirarubicin.cdx
csChFnd80/10082116052D

 47 52  0  0  0  0  0  0  0  0999 V2000
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    8.4786   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    9.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2808   10.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2943   11.8120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8152   12.5711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.6903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.9951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035   12.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9951    0.0000 O   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
   12.1201    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  1  0  0  0
  1  8  1  6  0  0  0
  3  9  1  6  0  0  0
  2 10  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 16  1  0  0  0  0
 16 11  1  0  0  0  0
  7 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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
 24 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 25  1  0  0  0  0
 28 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
 21 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  2  0  0  0  0
 21 39  1  1  0  0  0
 17 40  1  6  0  0  0
 26 41  1  0  0  0  0
 23 42  1  0  0  0  0
 30 43  2  0  0  0  0
 27 44  2  0  0  0  0
 31 45  1  0  0  0  0
 45 46  1  0  0  0  0
 11 47  1  1  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C32H37NO12

>  <MolWeight> (123)
627.63568

>  <Cat> (123)
S1393

>  <Name> (123)
Pirarubicin

>  <Synonyms> (123)
N/A

>  <Target> (123)
Topoisomerase

>  <Form> (123)
Free Base

>  <CAS> (123)
72496-41-4

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

$$$$
sodium phenylbutyrate.cdx
csChFnd80/10082116052D

 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> (124)
124

>  <Formula> (124)
C10H11NaO2

>  <MolWeight> (124)
186.18291

>  <Cat> (124)
S4125

>  <Name> (124)
Sodium Phenylbutyrate

>  <Synonyms> (124)
N/A

>  <Target> (124)
HDAC

>  <Form> (124)
Sodium Salt

>  <CAS> (124)
1716-12-7

>  <URL> (124)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/10082116052D

 24 25  0  0  0  0  0  0  0  0999 V2000
    2.4207    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    9.1947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    9.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0995    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    4.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8300    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2252    1.2082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1325    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9228    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  2 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
 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 12  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C16H19N3O4S

>  <MolWeight> (125)
349.40476

>  <Cat> (125)
S2693

>  <Name> (125)
Resminostat (RAS2410)

>  <Synonyms> (125)
4SC-201, BYK408740

>  <Target> (125)
HDAC

>  <Form> (125)
Free Base

>  <CAS> (125)
864814-88-0

>  <URL> (125)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/10082116052D

 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
    1.2649    3.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4670    2.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895    2.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100    4.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9325    5.0752    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3323    5.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6501    6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5344    4.3371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    2.3333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  7  1  0  0  0  0
  8 10  1  1  0  0  0
A   12
relative stereochemistry
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C9H12ClNR

>  <MolWeight> (126)
169.65128

>  <Cat> (126)
S4246

>  <Name> (126)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (126)
N/A

>  <Target> (126)
MAO

>  <Form> (126)
Hydrochloride

>  <CAS> (126)
4548-34-9

>  <URL> (126)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Flufenamic acid.cdx
csChFnd80/10082116052D

 20 21  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
    7.7870    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    1.5876    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  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
 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
  3 10  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C14H10F3NO2

>  <MolWeight> (127)
281.2299096

>  <Cat> (127)
S4268

>  <Name> (127)
Flufenamic acid

>  <Synonyms> (127)
N/A

>  <Target> (127)
COX

>  <Form> (127)
Free Base

>  <CAS> (127)
530-78-9

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

$$$$
Tenovin-6 HCl.cdx
csChFnd80/10082116052D

 33 33  0  0  0  0  0  0  0  0999 V2000
    6.0706    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5049    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
    3.6415    1.3976    0.0000 C   0  0  0  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
    6.0706    5.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    3.5049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.6049    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    3.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3537    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1370    6.3122    0.0000 C   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
   14.5661    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4159    6.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6283    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7786    4.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    6.3098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0532    5.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8407    7.7098    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
    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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8528    1.3085    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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M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C25H35ClN4O2S

>  <MolWeight> (128)
491.089

>  <Cat> (128)
S4900

>  <Name> (128)
Tenovin-6

>  <Synonyms> (128)
N/A

>  <Target> (128)
p53,Sirtuin

>  <Form> (128)
Free Base

>  <CAS> (128)
1011557-82-6

>  <URL> (128)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C13H22ClN3O

>  <MolWeight> (129)
271.78628

>  <Cat> (129)
S4294

>  <Name> (129)
Procainamide HCl

>  <Synonyms> (129)
N/A

>  <Target> (129)
Sodium Channel

>  <Form> (129)
Hydrochloride

>  <CAS> (129)
614-39-1

>  <URL> (129)
http://www.selleckchem.com/products/procainamide-hcl.html

$$$$
Meclofenamate sodium.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C14H10Cl2NNaO2

>  <MolWeight> (130)
318.13047

>  <Cat> (130)
S4295

>  <Name> (130)
Meclofenamate sodium

>  <Synonyms> (130)
N/A

>  <Target> (130)
COX

>  <Form> (130)
Sodium Salt

>  <CAS> (130)
6385-02-0

>  <URL> (130)
http://www.selleckchem.com/products/meclofenamate-sodium.html

$$$$
Daptomycin.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (131)
131

>  <Formula> (131)
C72H101N17O26

>  <MolWeight> (131)
1620.67064

>  <Cat> (131)
S1373

>  <Name> (131)
Daptomycin

>  <Synonyms> (131)
LY146032

>  <Target> (131)
Others

>  <Form> (131)
Free Base

>  <CAS> (131)
103060-53-3

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

$$$$
R-Ruxolitinib.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C17H18N6

>  <MolWeight> (132)
306.36502

>  <Cat> (132)
S1378

>  <Name> (132)
Ruxolitinib (INCB018424)

>  <Synonyms> (132)
N/A

>  <Target> (132)
JAK

>  <Form> (132)
Free Base

>  <CAS> (132)
941678-49-5

>  <URL> (132)
http://www.selleckchem.com/products/INCB18424.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (133)
133

>  <Formula> (133)
C25H31N7O6

>  <MolWeight> (133)
525.55694

>  <Cat> (133)
S2018

>  <Name> (133)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (133)
N/A

>  <Target> (133)
FLT3

>  <Form> (133)
Free Base

>  <CAS> (133)
1291074-87-7

>  <URL> (133)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C21H28Cl2N6O2

>  <MolWeight> (134)
467.39202

>  <Cat> (134)
S1096

>  <Name> (134)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (134)
N/A

>  <Target> (134)
HDAC

>  <Form> (134)
Dihydrochloride

>  <CAS> (134)
875320-31-3

>  <URL> (134)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$
Danthron.cdx
csChFnd80/10082116052D

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    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
    6.0543    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.2759    2.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  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
  9 13  1  0  0  0  0
 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> (135)
135

>  <Formula> (135)
C14H8O4

>  <MolWeight> (135)
240.21092

>  <Cat> (135)
S4561

>  <Name> (135)
Danthron

>  <Synonyms> (135)
chrysazin, Antrapurol

>  <Target> (135)
Others

>  <Form> (135)
Free Base

>  <CAS> (135)
117-10-2

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

$$$$
Pantoprazole sodium.cdx
csChFnd80/10082116052D

 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
   14.5673    3.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4066    4.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  8  2  0  0  0  0
  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
  8  9  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  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 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> (136)
136

>  <Formula> (136)
C16H14F2N3NaO4S

>  <MolWeight> (136)
405.3516364

>  <Cat> (136)
S4538

>  <Name> (136)
Pantoprazole sodium

>  <Synonyms> (136)
SKF96022 sodium, BY-1023 sodium

>  <Target> (136)
Proton Pump

>  <Form> (136)
Free Base

>  <CAS> (136)
138786-67-1

>  <URL> (136)
http://www.selleckchem.com/products/pantoprazole-sodium.html

$$$$

csChFnd80/10082116052D

 29 27  0  0  0  0  0  0  0  0999 V2000
   11.8884    2.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    2.7837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8884    0.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6708    2.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0992    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    2.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6717    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0986    0.0037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4462    2.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3163    0.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    0.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5326    4.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3130    6.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2322    0.0080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    4.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5356    6.9882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9605    4.1780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7510    6.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.9602    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7516    2.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    0.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7516    0.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.3708    9.5412    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.7732    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 12  2  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
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  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 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C20H28Cl3N3O3

>  <MolWeight> (137)
464.81362

>  <Cat> (137)
S4589

>  <Name> (137)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (137)
N/A

>  <Target> (137)
Transferase,Histone

>  <Form> (137)
dihydrochloride dihydrate

>  <CAS> (137)
6398-98-7

>  <URL> (137)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4635 Cyproheptadine hydrochloride.cdx
csChFnd80/10082116052D

 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
    3.9188    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4917    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1883    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3459    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2188    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899    8.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    5.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7064    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3603    1.0706    0.0000 R   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  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
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 14  2  0  0  0  0
 12 19  2  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 20  2  0  0  0  0
 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> (138)
138

>  <Formula> (138)
C21H22ClNR

>  <MolWeight> (138)
323.85908

>  <Cat> (138)
S4635

>  <Name> (138)
Cyproheptadine hydrochloride

>  <Synonyms> (138)
Periactin hydrochloride, Peritol

>  <Target> (138)
5-HT Receptor

>  <Form> (138)
Hydrochloride Sesquihydrate

>  <CAS> (138)
41354-29-4

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

$$$$
S4609 Diflunisal.cdx
csChFnd80/10082116052D

 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
    6.0622    0.0000    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
    7.2746    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
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  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
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C13H8F2O3

>  <MolWeight> (139)
250.1976264

>  <Cat> (139)
S4609

>  <Name> (139)
Diflunisal

>  <Synonyms> (139)
Dolobid, Dolobis, Flovacil, Fluniget

>  <Target> (139)
COX

>  <Form> (139)
Free Base

>  <CAS> (139)
22494-42-4

>  <URL> (139)
http://www.selleckchem.com/products/diflunisal.html

$$$$
S4668 Procaine.cdx
csChFnd80/10082116052D

 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
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    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
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  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
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C13H20N2O2

>  <MolWeight> (140)
236.3101

>  <Cat> (140)
S4668

>  <Name> (140)
Procaine

>  <Synonyms> (140)
Procaine, Novocaine, Vitamin H3, Duracaine, Spinocaine

>  <Target> (140)
Sodium Channel

>  <Form> (140)
Free Base

>  <CAS> (140)
59-46-1

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

$$$$
S4715 Benzamide.cdx
csChFnd80/10082116052D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.6999    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    2.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999    0.0000    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
    0.0000    2.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C7H7NO

>  <MolWeight> (141)
121.13658

>  <Cat> (141)
S4715

>  <Name> (141)
Benzamide

>  <Synonyms> (141)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (141)
Others

>  <Form> (141)
Free Base

>  <CAS> (141)
55-21-0

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

$$$$
Pantoprazole.cdx
csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6247    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.2039    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3810    3.5533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.7255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.4207    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   10.2966    3.6289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4966    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6991    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4942    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3966    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8942    3.6331    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
  1 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
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 22 17  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C16H15F2N3O4S

>  <MolWeight> (142)
383.3698064

>  <Cat> (142)
S2105

>  <Name> (142)
Pantoprazole (Protonix)

>  <Synonyms> (142)
N/A

>  <Target> (142)
Proton Pump

>  <Form> (142)
Free Base

>  <CAS> (142)
102625-70-7

>  <URL> (142)
http://www.selleckchem.com/products/pantoprazole-protonix.html

$$$$
S4710 Picolinamide.cdx
csChFnd80/10082116052D

  9  9  0  0  0  0  0  0  0  0999 V2000
    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
    2.1000    0.0000    0.0000 N   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
    0.7000    2.4249    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
    4.9000    2.4249    0.0000 N   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
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C6H6N2O

>  <MolWeight> (143)
122.12464

>  <Cat> (143)
S4710

>  <Name> (143)
Picolinamide

>  <Synonyms> (143)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (143)
PARP

>  <Form> (143)
Free Base

>  <CAS> (143)
1452-77-3

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

$$$$
MK4827.cdx
csChFnd80/10082116052D

 24 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
    3.7564    0.2674    0.0000 C   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 N   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 O   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
    5.9744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    0.1876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6124    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  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C19H20N4O

>  <MolWeight> (144)
320.3883

>  <Cat> (144)
S2741

>  <Name> (144)
MK-4827(Niraparib)

>  <Synonyms> (144)
N/A

>  <Target> (144)
PARP

>  <Form> (144)
Free Base

>  <CAS> (144)
1038915-60-4

>  <URL> (144)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/10082116052D

 52 56  0  0  0  0  0  0  0  0999 V2000
   10.9455    3.5183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2911    3.9469    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9455    2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    4.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1128    2.8021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7306    5.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2825    1.6712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5039    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    5.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5127    2.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1015    5.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7406    6.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7216    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5096    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2033    1.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2082    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2894    2.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2927    0.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9134    9.2316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1988    7.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2586   11.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5667   10.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4399    8.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7261   12.4573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 40 46  1  0  0  0  0
 43 47  1  0  0  0  0
 45 48  1  0  0  0  0
 46 49  2  0  0  0  0
 48 50  2  0  0  0  0
 48 51  1  0  0  0  0
 49 50  1  0  0  0  0
 50 52  1  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C36H30O16

>  <MolWeight> (145)
718.6138

>  <Cat> (145)
S4735

>  <Name> (145)
Salvianolic acid B

>  <Synonyms> (145)
Lithospermate B

>  <Target> (145)
Others

>  <Form> (145)
Free Base

>  <CAS> (145)
121521-90-2

>  <URL> (145)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3609 Berbamine (dihydrochloride).cdx
csChFnd80/10082116052D

 47 51  0  0  0  0  0  0  0  0999 V2000
    9.7222   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.6837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   19.6373    9.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8415    8.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6294   10.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4699    8.7814    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.0311    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8481    6.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8583   11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4266   11.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4958    7.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2783    9.4327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.0807   10.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2042    8.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0228    5.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2227   10.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3034    6.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0655    8.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3278   11.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0306    4.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2108    6.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5061    5.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0244    7.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2557    3.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4084    5.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3767    4.4370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9083    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4464    4.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3419    2.0782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0892    4.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6888    3.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3637    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5598    1.3986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2490    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9804    4.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6966    2.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9950    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6313    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1428    2.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7161    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5215    2.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0934    0.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4170    9.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5406   10.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9270    2.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2029    7.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4157    8.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  1  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 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 28  1  0  0  0  0
 26 30  2  0  0  0  0
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  1  0  0  0
 29 33  1  0  0  0  0
 30 35  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 33 36  1  0  0  0  0
 34 39  2  0  0  0  0
 34 40  1  0  0  0  0
 37 41  2  0  0  0  0
 37 42  1  0  0  0  0
 39 41  1  0  0  0  0
 40 42  2  0  0  0  0
 14 43  1  0  0  0  0
 19 44  1  0  0  0  0
 26 45  1  0  0  0  0
 45 34  1  0  0  0  0
 21 46  1  0  0  0  0
 46 47  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C37H42Cl2N2O6

>  <MolWeight> (146)
681.64518

>  <Cat> (146)
S3609

>  <Name> (146)
Berbamine (dihydrochloride)

>  <Synonyms> (146)
N/A

>  <Target> (146)
NF-¦ÊB,bcr/abl

>  <Form> (146)
dihydrochloride

>  <CAS> (146)
6078-17-7

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

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/10082116052D

 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
    3.6373    4.2000    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    1.4000    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
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    4.2000    0.0000 O   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  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  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 10  2  0  0  0  0
  9 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C11H8O3

>  <MolWeight> (147)
188.17942

>  <Cat> (147)
S3661

>  <Name> (147)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (147)
N/A

>  <Target> (147)
PKC

>  <Form> (147)
free base

>  <CAS> (147)
2348-82-5

>  <URL> (147)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3694 Glucosamine (hydrochloride).cdx
csChFnd80/10082116052D

 13 12  0  0  0  0  0  0  0  0999 V2000
    2.4290    3.5017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4035    2.1151    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6220    4.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    4.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6127    1.3999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1910    1.4151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267    3.4870    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    3.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8234    2.0754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6127    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392    4.1870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0358    1.3754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7747    2.2587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  6  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
  9 12  1  6  0  0  0
M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C6H14ClNO5

>  <MolWeight> (148)
215.63206

>  <Cat> (148)
S3694

>  <Name> (148)
Glucosamine hydrochloride

>  <Synonyms> (148)
2-Amino-2-deoxy-glucose HCl, Chitosamine HCl

>  <Target> (148)
Others

>  <Form> (148)
hydrochloride

>  <CAS> (148)
66-84-2

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

$$$$
S3639 Tacrine hydrochloride hydrate.cdx
csChFnd80/10082116052D

 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> (149)
149

>  <Formula> (149)
C13H14N2R2

>  <MolWeight> (149)
198.26366

>  <Cat> (149)
S3639

>  <Name> (149)
Tacrine hydrochloride hydrate

>  <Synonyms> (149)
Tacrine, Tetrahydroaminacrine, Tetrahydroaminoacridine

>  <Target> (149)
cholinesterase

>  <Form> (149)
hydrochloride hydrate

>  <CAS> (149)
206658-92-6

>  <URL> (149)
http://www.selleckchem.com/products/tacrine-hydrochloride-hydrate.html

$$$$
S3981 Sinapinic Acid.cdx
csChFnd80/10082116052D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2131    4.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4275    4.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    2.0993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6446    4.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    2.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4153    0.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8571    4.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6264    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    4.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487    4.1823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2643    6.2982    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
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7  9  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  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
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C11H12O5

>  <MolWeight> (150)
224.20998

>  <Cat> (150)
S3981

>  <Name> (150)
Sinapinic Acid

>  <Synonyms> (150)
Sinapic acid

>  <Target> (150)
Others

>  <Form> (150)
free base

>  <CAS> (150)
530-59-6

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

$$$$
S3984 Nordihydroguaiaretic acid.cdx
csChFnd80/10082116052D

 22 23  0  0  0  0  0  0  0  0999 V2000
    8.5458    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    2.1429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1209    2.8429    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9085    2.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3334    0.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6961    2.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3627    2.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2298    4.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5137    4.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9749    2.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3742    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1 15  1  0  0  0  0
M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C18H22O4

>  <MolWeight> (151)
302.36488

>  <Cat> (151)
S3984

>  <Name> (151)
Nordihydroguaiaretic acid

>  <Synonyms> (151)
N/A

>  <Target> (151)
lipoxygenase

>  <Form> (151)
free base

>  <CAS> (151)
500-38-9

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

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.2615    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11  4  2  0  0  0  0
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 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
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 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C19H20O5

>  <MolWeight> (152)
328.3591

>  <Cat> (152)
S3819

>  <Name> (152)
Decursinol angelate

>  <Synonyms> (152)
N/A

>  <Target> (152)
PKC

>  <Form> (152)
free base

>  <CAS> (152)
130848-06-5

>  <URL> (152)
http://www.selleckchem.com/products/decursinol-angelate.html

$$$$
S3836 6-Gingerol.cdx
csChFnd80/10082116052D

 21 21  0  0  0  0  0  0  0  0999 V2000
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    6.0665    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7038    4.8939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9162    4.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1287    4.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 12  1  0  0  0  0
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M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C17H26O4

>  <MolWeight> (153)
294.38594

>  <Cat> (153)
S3836

>  <Name> (153)
6-Gingerol

>  <Synonyms> (153)
CI-1011

>  <Target> (153)
CYP2C9,ACAT,CYP1A2,CYP2C19

>  <Form> (153)
free base

>  <CAS> (153)
23513-14-6

>  <URL> (153)
http://www.selleckchem.com/products/Avasimibe(CI-1011).html

$$$$
S3957 Gamma-Oryzanol.cdx
csChFnd80/10082116052D

 47 52  0  0  0  0  0  0  0  0999 V2000
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 20 47  1  6  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C40H58O4

>  <MolWeight> (154)
602.88612

>  <Cat> (154)
S3957

>  <Name> (154)
Gamma-Oryzanol

>  <Synonyms> (154)
N/A

>  <Target> (154)
Others

>  <Form> (154)
free base

>  <CAS> (154)
11042-64-1

>  <URL> (154)
http://www.selleckchem.com/products/gamma-oryzanol.html

$$$$
S3804 Alpha-Mangostin.cdx
csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
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free base

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1551491

>  <URL> (155)
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287383-59-9

>  <URL> (157)
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 34 28  1  0  0  0  0
 31 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 32  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C28H41N7O4

>  <MolWeight> (159)
539.66964

>  <Cat> (159)
S7353

>  <Name> (159)
EPZ004777

>  <Synonyms> (159)
N/A

>  <Target> (159)
Histone Methyltransferase

>  <Form> (159)
Free Base

>  <CAS> (159)
1338466-77-5

>  <URL> (159)
https://www.selleckchem.com/products/epz004777.html

$$$$
AGI5198.cdx
csChFnd80/10082116052D

 34 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   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
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    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
    3.6373    2.8000    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
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4820    6.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  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
 13 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 22 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  2  0  0  0  0
 27 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  2  0  0  0  0
 33 29  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C27H31FN4O2

>  <MolWeight> (160)
462.5590432

>  <Cat> (160)
S7185

>  <Name> (160)
AGI-5198

>  <Synonyms> (160)
IDH-C35

>  <Target> (160)
Dehydrogenase

>  <Form> (160)
Free Base

>  <CAS> (160)
1355326-35-0

>  <URL> (160)
http://www.selleckchem.com/products/agi-5198.html

$$$$
S3850 Glucosamine sulfate.cdx
csChFnd80/10082116052D

 17 15  0  0  0  0  0  0  0  0999 V2000
    3.9139    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5139    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9139    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    6.1413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0622    6.1413    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8413    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    4.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.7413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  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
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  6  0  0  0
  7 10  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
 10 14  1  0  0  0  0
 10 15  1  1  0  0  0
 12 16  2  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C6H15NO9S

>  <MolWeight> (161)
277.2496

>  <Cat> (161)
S3850

>  <Name> (161)
Glucosamine sulfate

>  <Synonyms> (161)
D-Glucosaminesulfate, D-Glucosamine sulphate

>  <Target> (161)
Others

>  <Form> (161)
sulfate

>  <CAS> (161)
29031-19-4

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

$$$$
S3898 Hydroxy Camptothecine.cdx
csChFnd80/10082116052D

 27 31  0  0  0  0  0  0  0  0999 V2000
    9.4336    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2459    4.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    1.7141    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0787    3.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6639    5.3651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6272    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4145    1.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6854    1.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1416    0.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4700    4.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2868    5.4817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2092    2.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    0.2792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3226    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1172    4.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4255    6.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1280    6.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8840    4.0681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    6.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6574    4.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681    6.1751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    4.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    6.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1975    4.7940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9011    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  6  0  0  0
  3  9  1  1  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C20H16N2O5

>  <MolWeight> (162)
364.35144

>  <Cat> (162)
S3898

>  <Name> (162)
Hydroxy Camptothecine

>  <Synonyms> (162)
10-Hydroxycamptothecin, Hydroxycamptothecine

>  <Target> (162)
DNA topoisomerase I

>  <Form> (162)
free base

>  <CAS> (162)
64439-81-2

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

$$$$
S4800 Daminozide.cdx
csChFnd80/10082116052D

 11 10  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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 N   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
    2.4249    2.1000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  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
  5  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
  7 11  2  0  0  0  0
M  END
>  <Mol_ID> (163)
163

>  <Formula> (163)
C6H12N2O3

>  <MolWeight> (163)
160.17108

>  <Cat> (163)
S4800

>  <Name> (163)
Daminozide

>  <Synonyms> (163)
Aminozide, Succinic Acid

>  <Target> (163)
PHF8,KDM2A 

>  <Form> (163)
free base

>  <CAS> (163)
1596-84-5

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

$$$$
S4771 ¦Â-thujaplicin.cdx
csChFnd80/10082116052D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.5490    2.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377    2.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071    2.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5490    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1472    4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7583    0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2595    5.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5084    4.4152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8596    5.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8491    6.4263    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
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (164)
164

>  <Formula> (164)
C10H12O2

>  <MolWeight> (164)
164.20108

>  <Cat> (164)
S4771

>  <Name> (164)
¦Â-thujaplicin

>  <Synonyms> (164)
Hinokitiol, 4-Isopropyltropolone

>  <Target> (164)
Others

>  <Form> (164)
free base

>  <CAS> (164)
499-44-5

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

$$$$
S3988 Theophylline-7-acetic acid.cdx
csChFnd80/10082116052D

 17 18  0  0  0  0  0  0  0  0999 V2000
    3.6380    3.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6409    2.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9686    3.9379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9733    1.6727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7939    2.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3985    5.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4314    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7672    5.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.3962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7062    4.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1971    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 11  1  0  0  0  0
 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
M  END
>  <Mol_ID> (165)
165

>  <Formula> (165)
C9H10N4O4

>  <MolWeight> (165)
238.2001

>  <Cat> (165)
S3988

>  <Name> (165)
Theophylline-7-acetic acid

>  <Synonyms> (165)
Acefylline, acetyloxytheophylline, Carboxymethyltheophylline

>  <Target> (165)
adenosine receptor

>  <Form> (165)
free base

>  <CAS> (165)
652-37-9

>  <URL> (165)
http://www.selleckchem.com/products/theophylline-7-acetic.html

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/10082116052D

 43 47  0  0  0  0  0  0  0  0999 V2000
    8.8389    5.3842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1564    4.1113    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1771    3.9947    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3358    3.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0022    2.4833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2089    1.7079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3626    2.7803    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9317    4.1661    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.5939    5.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0264    6.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310    1.2893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1767    5.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    6.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0678    0.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773    5.2227    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9461    6.8317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3209    3.0889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0420    2.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684    3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8852    1.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5843    1.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8088    7.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9298    0.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0746    7.5643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9029    9.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6074    0.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    4.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1933    1.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6965    3.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8857    3.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8254    4.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8944    5.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0593    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    7.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639    2.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0867    5.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6615    5.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7777    2.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2701    1.2361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2780    3.1276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636    5.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 10  1  1  0  0  0  0
 13  1  1  0  0  0  0
  1 16  1  1  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  2 42  1  6  0  0  0
  3  9  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  3 43  1  6  0  0  0
 29  4  1  0  0  0  0
 30  4  1  0  0  0  0
  5  4  1  0  0  0  0
  5 41  1  6  0  0  0
 20  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  6  0  0  0
 14  6  1  0  0  0  0
 21  6  1  0  0  0  0
  7 18  1  1  0  0  0
  8 17  1  1  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
 12 10  1  0  0  0  0
 24 10  2  0  0  0  0
 11 14  1  0  0  0  0
 31 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 33  1  1  0  0  0
 22 16  1  0  0  0  0
 19 17  1  0  0  0  0
 23 18  1  0  0  0  0
 25 19  2  0  0  0  0
 28 19  1  0  0  0  0
 20 21  1  0  0  0  0
 26 22  2  0  0  0  0
 35 22  1  0  0  0  0
 27 23  2  0  0  0  0
 34 23  1  0  0  0  0
 32 28  1  0  0  0  0
 36 32  2  0  0  0  0
 37 32  1  0  0  0  0
 39 36  1  0  0  0  0
 38 37  2  0  0  0  0
 40 38  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
>  <Mol_ID> (166)
166

>  <Formula> (166)
C32H40O8

>  <MolWeight> (166)
552.6552

>  <Cat> (166)
S3832

>  <Name> (166)
Euphorbiasteroid

>  <Synonyms> (166)
Euphorbia factor L1

>  <Target> (166)
Others

>  <Form> (166)
free base

>  <CAS> (166)
28649-59-4

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

$$$$
S5020 Tilorone dihydrochloride.cdx
csChFnd80/10082116052D

 32 32  0  0  0  0  0  0  0  0999 V2000
   11.0894    3.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853    3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5365    2.2351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0148    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2756    2.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7334    4.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4129    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9090    1.9589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873    4.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9077    1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3785    4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8344    3.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9467    2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2069    2.7333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5946    2.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1323    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308    3.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5048    3.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    3.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4302    4.5582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3164    4.3612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8027    4.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9831    5.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9539    4.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7267    5.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7281    5.3326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9085    6.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7728    6.7251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3465   11.0407    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9465   11.0407    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  2  0  0  0  0
  5 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 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
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C25H36Cl2N2O3

>  <MolWeight> (167)
483.47094

>  <Cat> (167)
S5020

>  <Name> (167)
Tilorone dihydrochloride

>  <Synonyms> (167)
N/A

>  <Target> (167)
Anti-infection

>  <Form> (167)
dihydrochloride 

>  <CAS> (167)
27591-69-1

>  <URL> (167)
http://selleckchem.com/products/tilorone-dihydrochloride.html

$$$$
Sodium valproate.cdx
csChFnd80/10082116052D

 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> (168)
168

>  <Formula> (168)
C8H15NaO2

>  <MolWeight> (168)
166.19327

>  <Cat> (168)
S1168

>  <Name> (168)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (168)
N/A 

>  <Target> (168)
GABA Receptor, HDAC

>  <CAS> (168)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
Methyl-Hesperidin.cdx
csChFnd80/10082116052D

 44 48  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2082    4.8903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207    4.1903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6331    4.8903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9903    0.0000 C   0  0  1  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    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2578    2.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4702    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6827    2.7927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    4.1927    0.0000 C   0  0  1  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
   10.8909    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    4.1927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.7364    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5820    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3695    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4702    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7364    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7902    6.9878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0026    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  1  9  1  1  0  0  0
 10  8  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  1  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
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Methyl-Hesperidin

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free base

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 11013-97-1

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SNS-314 Mesylate

>  <Synonyms> (170)
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Aurora Kinase

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Mesylate

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1146618-41-8

>  <URL> (170)
http://www.selleckchem.com/products/SNS-314.html

$$$$
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Pim

>  <Form> (171)
Free Base

>  <CAS> (171)
438190-29-5

>  <URL> (171)
http://www.selleckchem.com/products/smi-4a.html

$$$$
ACY-1215.cdx
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HDAC

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Free Base

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1316214-52-4

>  <URL> (172)
http://www.selleckchem.com/products/rocilinostat-acy-1215.html

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M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C17H13NO3

>  <MolWeight> (174)
279.29002

>  <Cat> (174)
S8038

>  <Name> (174)
UPF 1069

>  <Synonyms> (174)
N/A

>  <Target> (174)
PARP

>  <Form> (174)
Free Base

>  <CAS> (174)
1048371-03-4

>  <URL> (174)
http://www.selleckchem.com/products/upf-1069.html

$$$$
(+)-JQ1.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C23H25ClN4O2S

>  <MolWeight> (175)
456.9882

>  <Cat> (175)
S7110

>  <Name> (175)
(+)-JQ1

>  <Synonyms> (175)
N/A

>  <Target> (175)
BET

>  <Form> (175)
Free Base

>  <CAS> (175)
1268524-70-4

>  <URL> (175)
http://www.selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
csChFnd80/10082116052D

 32 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C24H28ClN5O2

>  <MolWeight> (176)
453.96442

>  <Cat> (176)
S7070

>  <Name> (176)
GSK J4 HCl

>  <Synonyms> (176)
N/A

>  <Target> (176)
Histone Demethylase

>  <Form> (176)
Hydrochloride

>  <CAS> (176)
1373423-53-0(free base)

>  <URL> (176)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/10082116052D

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M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C9H12N2O5

>  <MolWeight> (177)
228.20198

>  <Cat> (177)
S7113

>  <Name> (177)
Zebularine

>  <Synonyms> (177)
N/A

>  <Target> (177)
DNA Methyltransferase

>  <Form> (177)
Free Base

>  <CAS> (177)
654065

>  <URL> (177)
https://www.selleckchem.com/products/zebularine.html

$$$$
AZD 2461.cdx
csChFnd80/10082116052D

 29 32  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C22H22FN3O3

>  <MolWeight> (178)
395.4267832

>  <Cat> (178)
S7029

>  <Name> (178)
AZD2461

>  <Synonyms> (178)
N/A

>  <Target> (178)
PARP

>  <Form> (178)
Free Base

>  <CAS> (178)
1174043-16-3

>  <URL> (178)
https://www.selleckchem.com/products/azd2461.html

$$$$
Gemcitabine hydrochloride.cdx
csChFnd80/10082116052D

 19 19  0  0  0  0  0  0  0  0999 V2000
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    9.2782    5.7665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2686    2.9573    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
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  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  1  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
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
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  3 18  1  0  0  0  0
 12 13  1  1  0  0  0
  9  6  1  1  0  0  0
 11 15  1  6  0  0  0
M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C9H12ClF2N3O4

>  <MolWeight> (179)
299.6590864

>  <Cat> (179)
S1149

>  <Name> (179)
Gemcitabine HCl (Gemzar)

>  <Synonyms> (179)
Gemzar

>  <Target> (179)
DNA/RNA Synthesis

>  <Form> (179)
Hydrochloride

>  <CAS> (179)
122111-03-9

>  <URL> (179)
http://www.selleckchem.com/products/Gemcitabine-Hydrochloride(Gemzar).html

$$$$
Carboplatin.cdx
csChFnd80/10082116052D

 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
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    7.0774    1.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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> (180)
180

>  <Formula> (180)
C6H12N2O4Pt

>  <MolWeight> (180)
371.24848

>  <Cat> (180)
S1215

>  <Name> (180)
Carboplatin

>  <Synonyms> (180)
Paraplatin

>  <Target> (180)
DNA/RNA Synthesis

>  <Form> (180)
Free Base

>  <CAS> (180)
41575-94-4

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

$$$$
Camptothecine.cdx
csChFnd80/10082116052D

 26 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    4.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.5832    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.2832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1741    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3130    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1359    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  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
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
  3 18  1  6  0  0  0
 12 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 13  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> (181)
181

>  <Formula> (181)
C20H16N2O4

>  <MolWeight> (181)
348.35204

>  <Cat> (181)
S1288

>  <Name> (181)
Camptothecin

>  <Synonyms> (181)
N/A

>  <Target> (181)
Topoisomerase

>  <Form> (181)
Free Base

>  <CAS> (181)
2114454

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

$$$$
CHIBROXIN (norfloxacin).cdx
csChFnd80/10082116052D

 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 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 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
    8.4828    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    4.1976    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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  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
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 11 16  1  0  0  0  0
  1 17  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
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C16H18FN3O3

>  <MolWeight> (182)
319.3308232

>  <Cat> (182)
S1509

>  <Name> (182)
Norfloxacin (Norxacin)

>  <Synonyms> (182)
Chibroxin, MK-366, Baccidal, Sebercim, Zoroxin 

>  <Target> (182)
Others

>  <Form> (182)
Free Base

>  <CAS> (182)
70458-96-7

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

$$$$
CCT129202.cdx
csChFnd80/10082116052D

 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 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
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    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0753    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0453    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 11 12  2  0  0  0  0
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 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 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  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 30  2  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C23H25ClN8OS

>  <MolWeight> (183)
497.0156

>  <Cat> (183)
S1519

>  <Name> (183)
CCT129202

>  <Synonyms> (183)
N/A

>  <Target> (183)
Aurora Kinase

>  <Form> (183)
Free Base

>  <CAS> (183)
942947-93-5

>  <URL> (183)
http://www.selleckchem.com/products/CCT129202.html

$$$$
DEPOCYT (cytarabine).cdx
csChFnd80/10082116052D

 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
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    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  2  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
    5.3137    0.6321    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
    0.0000    1.5041    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  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  2  0  0  0  0
  5  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
  9  2  1  1  0  0  0
 11 14  1  1  0  0  0
 13 15  1  1  0  0  0
 12 16  1  6  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C9H13N3O5

>  <MolWeight> (184)
243.21662

>  <Cat> (184)
S1648

>  <Name> (184)
Cytarabine

>  <Synonyms> (184)
N/A 

>  <Target> (184)
Others

>  <Form> (184)
Free Base

>  <CAS> (184)
147-94-4

>  <URL> (184)
http://www.selleckchem.com/products/Cytarabine(Cytosar-U).html

$$$$
Sodium butyrate.cdx
csChFnd80/10082116052D

  7  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C4H7NaO2

>  <MolWeight> (185)
110.08695

>  <Cat> (185)
S1999

>  <Name> (185)
Sodium butyrate

>  <Synonyms> (185)
Butyric acid sodium salt

>  <Target> (185)
HDAC

>  <Form> (185)
Sodium Salt

>  <CAS> (185)
156-54-7

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

$$$$
Hydralazine hydrochloride.cdx
csChFnd80/10082116052D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2181    2.7854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C8H9ClN4

>  <MolWeight> (186)
196.63686

>  <Cat> (186)
S2562

>  <Name> (186)
Hydralazine hydrochloride

>  <Synonyms> (186)
Apresoline

>  <Target> (186)
Others

>  <Form> (186)
Hydrochloride

>  <CAS> (186)
304-20-1

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

$$$$
Procarbazine Hydrochloride.cdx
csChFnd80/10082116052D

 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> (187)
187

>  <Formula> (187)
C12H20ClN3O

>  <MolWeight> (187)
257.7597

>  <Cat> (187)
S1995

>  <Name> (187)
Procarbazine hydrochloride (Matulane)

>  <Synonyms> (187)
N/A 

>  <Target> (187)
DNA/RNA

>  <Form> (187)
Hydrochloride

>  <CAS> (187)
366-70-1

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

$$$$
CCT137690.cdx
csChFnd80/10082116052D

 36 41  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 N   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 C   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
    1.0033    2.7976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.1859    1.4000    0.0000 C   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
    4.6364    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2115    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2859    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9859    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2859    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8859    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3811    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4811    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1811    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.0811    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5762    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   10.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.5184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   12.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  8 11  1  0  0  0  0
  6 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 12  1  0  0  0  0
 11 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 22 11  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 15 30  1  0  0  0  0
 30 31  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
 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (188)
188

>  <Formula> (188)
C26H31BrN8O

>  <MolWeight> (188)
551.48134

>  <Cat> (188)
S2744

>  <Name> (188)
CCT137690

>  <Synonyms> (188)
N/A

>  <Target> (188)
Aurora Kinase

>  <Form> (188)
Free Base

>  <CAS> (188)
1095382-05-0

>  <URL> (188)
http://www.selleckchem.com/products/cct137690.html

$$$$
CPI-169.cdx
csChFnd80/10082116052D

 37 40  0  0  0  0  0  0  0  0999 V2000
    5.2541    2.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0308    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4279    1.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0483    3.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8746    4.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3961    3.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4525    4.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    5.3560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7608    6.7038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4042    7.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7387    7.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0255    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690    8.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6911    7.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0697    6.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4263    6.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3345    8.0876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    9.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566    7.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7132    6.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7956    3.1209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8942    2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1950    2.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2936    1.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5944    2.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7967    3.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6981    4.6734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3973    4.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2987    5.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0913    0.5175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7905    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0975    4.3231    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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  8 23  1  0  0  0  0
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 29 30  1  0  0  0  0
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 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <Mol_ID> (189)
189

>  <Formula> (189)
C27H36N4O5S

>  <MolWeight> (189)
528.66354

>  <Cat> (189)
S7616

>  <Name> (189)
CPI-169

>  <Synonyms> (189)
N/A

>  <Target> (189)
Histone Methyltransferase

>  <Form> (189)
Free Base

>  <CAS> (189)
1450655-76-1

>  <URL> (189)
http://www.selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/10082116052D

 35 38  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (190)
190

>  <Formula> (190)
C29H28N4O2

>  <MolWeight> (190)
464.55822

>  <Cat> (190)
S7843

>  <Name> (190)
BI-847325

>  <Synonyms> (190)
N/A

>  <Target> (190)
MEK

>  <Form> (190)
Free Base

>  <CAS> (190)
1207293-36-4

>  <URL> (190)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (191)
191

>  <Formula> (191)
C21H14N2Na2O9S2

>  <MolWeight> (191)
548.4534

>  <Cat> (191)
S7884

>  <Name> (191)
AMI-1

>  <Synonyms> (191)
N/A

>  <Target> (191)
Histone Methyltransferase

>  <Form> (191)
disodium salt

>  <CAS> (191)
20324-87-2

>  <URL> (191)
http://www.selleckchem.com/products/ami-1.html

$$$$
G007-LK.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C25H16ClN7O3S

>  <MolWeight> (192)
529.95764

>  <Cat> (192)
S7239

>  <Name> (192)
G007-LK

>  <Synonyms> (192)
N/A

>  <Target> (192)
PARP

>  <Form> (192)
Free Base

>  <CAS> (192)
1380672-07-0

>  <URL> (192)
http://www.selleckchem.com/products/g007-lk.html

$$$$
GSK503.cdx
csChFnd80/10082116052D

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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9961    6.2923    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  7  1  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C22H20N4OS2

>  <MolWeight> (198)
420.5504

>  <Cat> (198)
S7845

>  <Name> (198)
SirReal2

>  <Synonyms> (198)
N/A

>  <Target> (198)
Sirtuin

>  <Form> (198)
Free Base

>  <CAS> (198)
709002-46-0

>  <URL> (198)
http://www.selleck.cn/products/sirreal2.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/10082116052D

 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
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    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
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  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C8H16O2

>  <MolWeight> (199)
144.21144

>  <Cat> (199)
S3944

>  <Name> (199)
Valproic acid

>  <Synonyms> (199)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (199)
HDAC1

>  <Form> (199)
free base

>  <CAS> (199)
99-66-1

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

$$$$
S3770 Sodium Aescinate.cdx
csChFnd80/10082116052D

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    1.2124    9.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.0000   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   20.3889   13.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    7.7000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.2487    7.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.8238    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C54H83NaO23

>  <MolWeight> (200)
1123.21279

>  <Cat> (200)
S3770

>  <Name> (200)
Sodium Aescinate

>  <Synonyms> (200)
Escin sodium salt

>  <Target> (200)
Others

>  <Form> (200)
sodium salt

>  <CAS> (200)
20977-05-3

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

$$$$
WT161.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C27H30N4O3

>  <MolWeight> (201)
458.5521

>  <Cat> (201)
S8495

>  <Name> (201)
WT161

>  <Synonyms> (201)
N/A

>  <Target> (201)
HDAC1,2,6

>  <Form> (201)
free base

>  <CAS> (201)
1206731-57-8

>  <URL> (201)
http://www.selleckchem.com/products/wt161.html

$$$$
Bromosporine.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C17H20N6O4S

>  <MolWeight> (202)
404.4435

>  <Cat> (202)
S7233

>  <Name> (202)
Bromosporine

>  <Synonyms> (202)
N/A

>  <Target> (202)
Epigenetic Reader Domain

>  <Form> (202)
Free Base

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

$$$$
192441-08-0.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C10H8BrN5OS

>  <MolWeight> (203)
326.17242

>  <Cat> (203)
S8056

>  <Name> (203)
Lomeguatrib

>  <Synonyms> (203)
PaTrin-2

>  <Target> (203)
DNA Methyltransferase

>  <Form> (203)
Free Base

>  <CAS> (203)
192441-08-0

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

$$$$
EPZ005687.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C32H37N5O3

>  <MolWeight> (204)
539.66788

>  <Cat> (204)
S7004

>  <Name> (204)
EPZ005687

>  <Synonyms> (204)
N/A

>  <Target> (204)
Histone Methyltransferase

>  <Form> (204)
Free Base

>  <CAS> (204)
1396772-26-1

>  <URL> (204)
http://www.selleckchem.com/products/epz005687.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C22H22ClN5O2

>  <MolWeight> (205)
423.89538

>  <Cat> (205)
S7189

>  <Name> (205)
I-BET-762

>  <Synonyms> (205)
GSK525762, GSK525762A

>  <Target> (205)
Epigenetic Reader Domain

>  <Form> (205)
Free Base

>  <CAS> (205)
1260907-17-2

>  <URL> (205)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (206)
206

>  <Formula> (206)
C16H10BrN3O2

>  <MolWeight> (206)
356.1735

>  <Cat> (206)
S7198

>  <Name> (206)
BIO

>  <Synonyms> (206)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (206)
GSK-3

>  <Form> (206)
Free Base

>  <CAS> (206)
667463-62-9

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

$$$$
RGFP966.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C21H19FN4O

>  <MolWeight> (207)
362.4001632

>  <Cat> (207)
S7229

>  <Name> (207)
RGFP966

>  <Synonyms> (207)
N/A

>  <Target> (207)
HDAC

>  <Form> (207)
Free Base

>  <CAS> (207)
1396841-57-8

>  <URL> (207)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C23H26ClNO

>  <MolWeight> (208)
367.91164

>  <Cat> (208)
S8004

>  <Name> (208)
ZM 39923 HCl

>  <Synonyms> (208)
N/A

>  <Target> (208)
JAK

>  <Form> (208)
HCl

>  <CAS> (208)
1021868-92-7

>  <URL> (208)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (209)
209

>  <Formula> (209)
C28H40BrN7O4

>  <MolWeight> (209)
618.5657

>  <Cat> (209)
S7079

>  <Name> (209)
SGC 0946

>  <Synonyms> (209)
N/A

>  <Target> (209)
Histone Methyltransferase

>  <Form> (209)
Free Base

>  <URL> (209)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C26H27N5O5S2

>  <MolWeight> (210)
553.65308

>  <Cat> (210)
S7207

>  <Name> (210)
Ro 31-8220 Mesylate

>  <Synonyms> (210)
Bisindolylmaleimide IX Mesylate

>  <Target> (210)
PKC

>  <Form> (210)
Mesylate

>  <CAS> (210)
138489-18-6

>  <URL> (210)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/10082116052D

 35 39  0  0  0  0  0  0  0  0999 V2000
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   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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 10  6  1  0  0  0  0
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 30 35  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C27H23N7O

>  <MolWeight> (211)
461.51782

>  <Cat> (211)
S7276

>  <Name> (211)
SGI-1027

>  <Synonyms> (211)
DNA Methyltransferase Inhibitor II

>  <Target> (211)
DNA Methyltransferase

>  <Form> (211)
Free Base

>  <CAS> (211)
1020149-73-8

>  <URL> (211)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/10082116052D

 32 34  0  0  0  0  0  0  0  0999 V2000
   10.2024    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4149    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.8940    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3981    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.4912    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.4912    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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  1  7  1  0  0  0  0
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 16 17  1  0  0  0  0
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 22 25  1  0  0  0  0
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 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C24H27Cl2N5O

>  <MolWeight> (212)
472.41008

>  <Cat> (212)
S7306

>  <Name> (212)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (212)
BML-275,Compound C

>  <Target> (212)
AMPK

>  <Form> (212)
Dihydrochloride

>  <CAS> (212)
1219168-18-9

>  <URL> (212)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
tacrine hydrochlorid.cdx
csChFnd80/10082116052D

 16 17  0  0  0  0  0  0  0  0999 V2000
    7.2758    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0616    2.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0639    0.0040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0011    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    4.1971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0157    4.3332    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  7 15  1  0  0  0  0
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C13H15ClN2

>  <MolWeight> (213)
234.7246

>  <Cat> (213)
S4357

>  <Name> (213)
tacrine hydrochlorid

>  <Synonyms> (213)
N/A

>  <Target> (213)
Others

>  <Form> (213)
hydrochlorid

>  <CAS> (213)
1684-40-8

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

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/10082116052D

 42 46  0  0  0  0  0  0  0  0999 V2000
    2.4207   12.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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214

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Tazemetostat (EPZ-6438)

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E7438

>  <Target> (214)
Histone Methyltransferase

>  <Form> (214)
Free Base

>  <CAS> (214)
1403254-99-8

>  <URL> (214)
http://www.selleckchem.com/products/epz-6438.html

$$$$
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>  <Mol_ID> (215)
215

>  <Formula> (215)
C20H22N2O5

>  <MolWeight> (215)
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S7295

>  <Name> (215)
RVX-208(RVX-000222)

>  <Synonyms> (215)
RVX-000222

>  <Target> (215)
Epigenetic Reader Domain

>  <Form> (215)
Free Base

>  <CAS> (215)
1044870-39-4

>  <URL> (215)
http://www.selleckchem.com/products/rvx-208.html

$$$$
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>  <Mol_ID> (216)
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XL019

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N/A

>  <Target> (216)
JAK

>  <Form> (216)
Free Base

>  <CAS> (216)
945755-56-6

>  <URL> (216)
http://www.selleckchem.com/products/xl019.html

$$$$
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>  <Mol_ID> (217)
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>  <Target> (217)
Raf

>  <Form> (217)
Free Base

>  <CAS> (217)
1228591-30-7

>  <URL> (217)
http://www.selleckchem.com/products/tak-632.html

$$$$
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>  <Mol_ID> (218)
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UNC1999

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N/A

>  <Target> (218)
Histone Methyltransferase

>  <Form> (218)
Free Base

>  <CAS> (218)
1431612-23-5

>  <URL> (218)
http://www.selleckchem.com/products/unc1999.html

$$$$
JIB04 (NSC693627).cdx
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>  <Mol_ID> (219)
219

>  <Formula> (219)
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>  <Cat> (219)
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>  <Name> (219)
JIB04 (NSC693627)

>  <Synonyms> (219)
NSC693627

>  <Target> (219)
Histone demethylases

>  <Form> (219)
Free Base

>  <CAS> (219)
199596-05-9

>  <URL> (219)
http://www.selleckchem.com/products/jib-04.html

$$$$
MM-102.cdx
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>  <Mol_ID> (220)
220

>  <Formula> (220)
C35H49F2N7O4

>  <MolWeight> (220)
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>  <Cat> (220)
S7265

>  <Name> (220)
MM-102

>  <Synonyms> (220)
HMTase Inhibitor IX

>  <Target> (220)
Histone Methyltransferase

>  <Form> (220)
Free Base

>  <CAS> (220)
1417329-24-8

>  <URL> (220)
http://www.selleckchem.com/products/mm-102.html

$$$$
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>  <Mol_ID> (221)
221

>  <Formula> (221)
C28H32N4O3

>  <MolWeight> (221)
472.57868

>  <Cat> (221)
S8057

>  <Name> (221)
Pacritinib (SB1518)

>  <Synonyms> (221)
N/A

>  <Target> (221)
JAK

>  <Form> (221)
Free Base

>  <CAS> (221)
937272-79-2

>  <URL> (221)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (222)
222

>  <Formula> (222)
C20H25N3O2

>  <MolWeight> (222)
339.4314

>  <Cat> (222)
S7292

>  <Name> (222)
RG2833 (RGFP109)

>  <Synonyms> (222)
N/A

>  <Target> (222)
HDAC

>  <Form> (222)
Free Base

>  <CAS> (222)
1215493-56-3

>  <URL> (222)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
PF-562271.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (223)
223

>  <Formula> (223)
C21H21ClF3N7O3S

>  <MolWeight> (223)
543.9497496

>  <Cat> (223)
S7357

>  <Name> (223)
PF-562271 HCl

>  <Synonyms> (223)
N/A

>  <Target> (223)
FAK

>  <Form> (223)
Hydrochloride

>  <URL> (223)
http://www.selleckchem.com/products/pf-562271-hcl.html

$$$$
WZ4003.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (224)
224

>  <Formula> (224)
C25H29ClN6O3

>  <MolWeight> (224)
496.98916

>  <Cat> (224)
S7317

>  <Name> (224)
WZ4003

>  <Synonyms> (224)
N/A

>  <Target> (224)
AMPK

>  <Form> (224)
Free Base

>  <CAS> (224)
1214265-58-3

>  <URL> (224)
http://www.selleckchem.com/products/wz4003.html

$$$$
SGC-CBP30.cdx
csChFnd80/10082116052D

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N/A

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BET

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Free Base

>  <CAS> (229)
202590-98-5

>  <URL> (229)
http://www.selleckchem.com/products/otx015.html

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csChFnd80/10082116052D

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Nexturastat A

>  <Synonyms> (230)
N/A

>  <Target> (230)
Nexturastat A

>  <Form> (230)
Free Base

>  <CAS> (230)
1403783-31-2

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

$$$$
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csChFnd80/10082116052D

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>  <Mol_ID> (231)
231

>  <Formula> (231)
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S7241

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AGI-6780

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N/A

>  <Target> (231)
Dehydrogenase

>  <Form> (231)
Free Base 

>  <CAS> (231)
1432660-47-3

>  <URL> (231)
http://www.selleckchem.com/products/agi-6780.html

$$$$
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232

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DMOG

>  <Synonyms> (232)
Dimethyloxalylglycine

>  <Target> (232)
Hydroxylase

>  <Form> (232)
Free Base

>  <CAS> (232)
89464-63-1

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

$$$$
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csChFnd80/10082116052D

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233

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N/A

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Histone demethylases

>  <Form> (233)
Free Base

>  <CAS> (233)
1357302-64-7

>  <URL> (233)
http://www.selleckchem.com/products/og-l002.html

$$$$
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Histone Acetyltransferase

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328968-36-1

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Epigenetic Reader Domain

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1415800-43-9

>  <URL> (235)
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Wnt/beta-catenin

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838818-26-1

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Histone demethylases

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5852-78-8

>  <URL> (237)
http://www.selleckchem.com/products/iox1.html

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M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C21H21N3O2S

>  <MolWeight> (238)
379.47534

>  <Cat> (238)
S7104

>  <Name> (238)
AZD1208

>  <Synonyms> (238)
N/A

>  <Target> (238)
Pim

>  <Form> (238)
Free Base

>  <CAS> (238)
1204144-28-4

>  <URL> (238)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C26H25Cl2N3O3

>  <MolWeight> (239)
498.401

>  <Cat> (239)
S7041

>  <Name> (239)
CX-6258 HCl

>  <Synonyms> (239)
N/A

>  <Target> (239)
Pim

>  <Form> (239)
Hydrochloride

>  <CAS> (239)
1353859-00-3

>  <URL> (239)
http://www.selleckchem.com/products/CX-6258.html

$$$$
XMD8-92.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C26H30N6O3

>  <MolWeight> (240)
474.5548

>  <Cat> (240)
S7525

>  <Name> (240)
XMD8-92

>  <Synonyms> (240)
N/A

>  <Target> (240)
ERK

>  <Form> (240)
Free Base

>  <CAS> (240)
1234480-50-2

>  <URL> (240)
http://www.selleckchem.com/products/xmd8-92.html

$$$$
CPI203 .cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C19H18ClN5OS

>  <MolWeight> (241)
399.89712

>  <Cat> (241)
S7304

>  <Name> (241)
CPI-203

>  <Synonyms> (241)
N/A

>  <Target> (241)
Epigenetic Reader Domain

>  <Form> (241)
Free Base

>  <CAS> (241)
1446144-04-2

>  <URL> (241)
http://www.selleckchem.com/products/cpi-203.html

$$$$
TMP269.cdx
csChFnd80/10082116052D

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Histone Acetyltransferase

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1243583-85-8

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$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C15H22N2O3

>  <MolWeight> (247)
278.34678

>  <Cat> (247)
S7595

>  <Name> (247)
Santacruzamate A (CAY10683)

>  <Synonyms> (247)
N/A

>  <Target> (247)
HDAC

>  <Form> (247)
Free Base

>  <CAS> (247)
1477949-42-0

>  <URL> (247)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C21H23N5O3S

>  <MolWeight> (248)
425.50402

>  <Cat> (248)
S7605

>  <Name> (248)
Filgotinib£¨GLPG0643)

>  <Synonyms> (248)
N/A

>  <Target> (248)
JAK

>  <Form> (248)
Free Base

>  <CAS> (248)
1206161-97-8

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

$$$$
PFI-3.cdx
csChFnd80/10082116052D

 24 27  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
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M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C19H19N3O2

>  <MolWeight> (249)
321.37306

>  <Cat> (249)
S7315

>  <Name> (249)
PFI-3

>  <Synonyms> (249)
N/A

>  <Target> (249)
Epigenetic Reader Domain

>  <Form> (249)
Free Base

>  <URL> (249)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/10082116052D

 29 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C20H17F3N2O4

>  <MolWeight> (250)
406.3551896

>  <Cat> (250)
S7617

>  <Name> (250)
Tasquinimod

>  <Synonyms> (250)
ABR-215050

>  <Target> (250)
HDAC

>  <Form> (250)
Free Base

>  <CAS> (250)
254964-60-8

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

$$$$
AGK 2.cdx
csChFnd80/10082116052D

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 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16  9  1  0  0  0  0
  1 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
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 22 18  1  0  0  0  0
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 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C23H13Cl2N3O2

>  <MolWeight> (251)
434.27422

>  <Cat> (251)
S7577

>  <Name> (251)
AGK2

>  <Synonyms> (251)
N/A

>  <Target> (251)
Sirtuin

>  <Form> (251)
Free Base

>  <CAS> (251)
304896-28-4

>  <URL> (251)
http://www.selleckchem.com/products/agk2.html

$$$$
Anacardic Acid.cdx
csChFnd80/10082116052D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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 O   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 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
    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
    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
   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
   13.3368    0.0000    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
   16.9741    0.7000    0.0000 C   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
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C22H36O3

>  <MolWeight> (252)
348.51944

>  <Cat> (252)
S7582

>  <Name> (252)
Anacardic Acid

>  <Synonyms> (252)
6-pentadecylsalicylic Acid

>  <Target> (252)
Histone Acetyltransferase

>  <Form> (252)
Free Base

>  <CAS> (252)
16611-84-0

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

$$$$
Splitomicin.cdx
csChFnd80/10082116052D

 15 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
    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
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    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
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    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 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  1  1  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C13H10O2

>  <MolWeight> (253)
198.2173

>  <Cat> (253)
S7593

>  <Name> (253)
Splitomicin

>  <Synonyms> (253)
N/A

>  <Target> (253)
Sirtuin

>  <Form> (253)
Free Base

>  <CAS> (253)
1384339

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

$$$$
URMC-099.cdx
csChFnd80/10082116052D

 32 37  0  0  0  0  0  0  0  0999 V2000
    3.6873    8.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778    7.7029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6989    5.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9084    6.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9011    7.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    5.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    4.1981    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0229    3.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    1.3998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1136    8.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275    7.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5312    9.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3195   10.5224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1063    9.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8702    8.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6884    9.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3084    6.6714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1847    4.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1172    5.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  7  1  0  0  0  0
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  8  9  1  0  0  0  0
  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
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  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
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 11 32  1  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C27H27N5

>  <MolWeight> (254)
421.53678

>  <Cat> (254)
S7343

>  <Name> (254)
URMC-099

>  <Synonyms> (254)
N/A

>  <Target> (254)
Others

>  <Form> (254)
Free Base

>  <CAS> (254)
1229582-33-5

>  <URL> (254)
http://www.selleckchem.com/products/urmc-099.html

$$$$
PFI-2.cdx
csChFnd80/10082116052D

 34 37  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244   10.5544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 10  2  1  0  0  0  0
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  5 12  1  0  0  0  0
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 17 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 17  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C23H25F4N3O3S

>  <MolWeight> (255)
499.5215128

>  <Cat> (255)
S7294

>  <Name> (255)
PFI-2 HCl

>  <Synonyms> (255)
N/A

>  <Target> (255)
Histone Methyltransferase

>  <Form> (255)
Hydrochloride

>  <CAS> (255)
1627676-59-8

>  <URL> (255)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    3.2326    2.6838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8668   10.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668   11.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  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  1  0  0  0  0
 20 16  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C18H25N5S2

>  <MolWeight> (256)
375.5546

>  <Cat> (256)
S7619

>  <Name> (256)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (256)
N/A

>  <Target> (256)
Histone Methyltransferase

>  <Form> (256)
Free Base

>  <CAS> (256)
1271738-59-0

>  <URL> (256)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Remodelin.cdx
csChFnd80/10082116052D

 21 22  0  0  0  0  0  0  0  0999 V2000
    1.6887    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996    4.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3661    7.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0219    6.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0110    7.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0548    3.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1263    1.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3987    1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  9  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
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M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C15H15BrN4S

>  <MolWeight> (257)
363.2754

>  <Cat> (257)
S7641

>  <Name> (257)
Remodelin

>  <Synonyms> (257)
N/A

>  <Target> (257)
Histone Acetyltransferase

>  <Form> (257)
hydrochloride salt

>  <CAS> (257)
1622921-15-6

>  <URL> (257)
http://www.selleckchem.com/products/remodelin.html

$$$$
G-749.cdx
csChFnd80/10082116052D

 34 38  0  0  0  0  0  0  0  0999 V2000
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    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    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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  3  4  2  0  0  0  0
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  5  7  1  0  0  0  0
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  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
 10 11  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
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 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 23 24  2  0  0  0  0
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 26 21  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  1  0  0  0  0
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 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C25H25BrN6O2

>  <MolWeight> (258)
521.409

>  <Cat> (258)
S7545

>  <Name> (258)
G-749

>  <Synonyms> (258)
N/A

>  <Target> (258)
FLT3

>  <Form> (258)
Free Base

>  <CAS> (258)
1457983-28-6

>  <URL> (258)
http://www.selleckchem.com/products/g-749.html

$$$$
Nedaplatin.cdx
csChFnd80/10082116052D
CFW_RXN
  8  6  0  0  0  0  0  0  0  0999 V2000
    3.1062    1.0404    0.0000 Pt  0  0  0  0  0  0  0  5  2  0  0  0
    2.4062    2.2528    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    1.0368    1.9618    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    0.8905    0.5694    0.0000 C   0  0  0  0  0  0  0  5  2  0  0  0
    2.1694    0.0000    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    0.0000    2.8953    0.0000 O   0  0  0  0  0  0  0  5  2  0  0  0
    6.5243    3.4968    0.0000 R   0  0  0  0  0  0  0  1  1  1  0  0
    6.5243    0.0697    0.0000 R   0  0  0  0  0  0  0  2  3  1  0  0
  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> (259)
259

>  <Formula> (259)
R + C2H2O3Pt  -> R  [+ C2H2O3Pt]

>  <MolWeight> (259)
269.11348

>  <Cat> (259)
S1826

>  <Name> (259)
Nedaplatin

>  <Synonyms> (259)
N/A

>  <Target> (259)
DNA/RNA Synthesis

>  <Form> (259)
Free Base

>  <CAS> (259)
95734-82-0

>  <URL> (259)
http://www.selleckchem.com/products/nedaplatin-aqupla.html

$$$$
GF 109203X(G 6850).cdx
csChFnd80/10082116052D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.1450    6.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5133    6.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 17 30  1  0  0  0  0
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M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C25H24N4O2

>  <MolWeight> (260)
412.48366

>  <Cat> (260)
S7208

>  <Name> (260)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (260)
GO 6850

>  <Target> (260)
PKC

>  <Form> (260)
Free Base

>  <CAS> (260)
133052-90-1

>  <URL> (260)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/10082116052D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (261)
261

>  <Formula> (261)
C17H18ClN3O2

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>  <Cat> (261)
S7300

>  <Name> (261)
PJ34 hcl

>  <Synonyms> (261)
N/A

>  <Target> (261)
PARP

>  <Form> (261)
Hydrochloride

>  <CAS> (261)
344458-15-7

>  <URL> (261)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (262)
262

>  <Formula> (262)
C20H28ClN7O3S

>  <MolWeight> (262)
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>  <Cat> (262)
S7634

>  <Name> (262)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (262)
N/A

>  <Target> (262)
JAK

>  <Form> (262)
Hydrochloride

>  <CAS> (262)
1369761-01-2

>  <URL> (262)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (263)
263

>  <Formula> (263)
C18H25N5S2

>  <MolWeight> (263)
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>  <Cat> (263)
S7618

>  <Name> (263)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (263)
N/A

>  <Target> (263)
Histone Methyltransferase

>  <Form> (263)
Free Base

>  <CAS> (263)
1271738-62-5

>  <URL> (263)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (264)
264

>  <Formula> (264)
C19H20ClN3O5S

>  <MolWeight> (264)
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>  <Cat> (264)
S7680

>  <Name> (264)
SP2509

>  <Synonyms> (264)
N/A

>  <Target> (264)
Histone Demethylase

>  <Form> (264)
Free Base

>  <CAS> (264)
1423715-09-6

>  <URL> (264)
http://www.selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
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265

>  <Formula> (265)
C25H23ClN2O3

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GSK1324726A (I-BET726)

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N/A

>  <Target> (265)
Epigenetic Reader Domain

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Free Base

>  <CAS> (265)
1300031-52-0

>  <URL> (265)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
EI1.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (266)
266

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C23H26N4O2

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S7611

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EI1

>  <Synonyms> (266)
N/A

>  <Target> (266)
Histone Methyltransferase

>  <Form> (266)
Free Base

>  <CAS> (266)
1418308-27-6

>  <URL> (266)
http://www.selleckchem.com/products/ei1.html

$$$$
BRD4770.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (267)
267

>  <Formula> (267)
C25H23N3O3

>  <MolWeight> (267)
413.46842

>  <Cat> (267)
S7591

>  <Name> (267)
BRD4770

>  <Synonyms> (267)
N/A

>  <Target> (267)
Histone Methyltransferase

>  <Form> (267)
Free Base

>  <CAS> (267)
1374601-40-7

>  <URL> (267)
http://www.selleckchem.com/products/brd4770.html

$$$$
PX-478 2HCl.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (268)
268

>  <Formula> (268)
C13H20Cl4N2O3

>  <MolWeight> (268)
394.1215

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S7612

>  <Name> (268)
PX-478 2HCl

>  <Synonyms> (268)
N/A

>  <Target> (268)
HIF

>  <Form> (268)
Dihydrochlorid

>  <CAS> (268)
685898-44-6

>  <URL> (268)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
Reversine.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (269)
269

>  <Formula> (269)
C21H27N7O

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393.48538

>  <Cat> (269)
S7588

>  <Name> (269)
Reversine

>  <Synonyms> (269)
N/A

>  <Target> (269)
Adenosine Receptor

>  <Form> (269)
Free Base

>  <CAS> (269)
656820-32-5

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

$$$$
CAY10603.cdx
csChFnd80/10082116052D

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1395084-25-9

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http://www.selleckchem.com/products/ms436.html

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162520-00-5

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

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279

>  <Formula> (279)
C23H35N5O2

>  <MolWeight> (279)
413.5563

>  <Cat> (279)
S7570

>  <Name> (279)
UNC0379

>  <Synonyms> (279)
N/A

>  <Target> (279)
Histone Methyltransferase

>  <Form> (279)
Free Base

>  <CAS> (279)
1620401-82-2

>  <URL> (279)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C14H22Cl2N2

>  <MolWeight> (280)
289.24388

>  <Cat> (280)
S7574

>  <Name> (280)
GSK-LSD1 2HCl

>  <Synonyms> (280)
N/A

>  <Target> (280)
Histone Demethylase

>  <Form> (280)
Dihydrochloride

>  <CAS> (280)
1431368-48-7

>  <URL> (280)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (281)
281

>  <Formula> (281)
C31H38N6O2

>  <MolWeight> (281)
526.67242

>  <Cat> (281)
S7061

>  <Name> (281)
GSK126

>  <Synonyms> (281)
N/A

>  <Target> (281)
Histone Methyltransferase

>  <Form> (281)
Free Base

>  <CAS> (281)
1346574-57-9

>  <URL> (281)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (282)
282

>  <Formula> (282)
C20H25N5O3

>  <MolWeight> (282)
383.4442

>  <Cat> (282)
S7748

>  <Name> (282)
EPZ015666

>  <Synonyms> (282)
N/A

>  <Target> (282)
Histone Methyltransferase

>  <Form> (282)
Free Base

>  <CAS> (282)
1616391-65-1

>  <URL> (282)
http://www.selleckchem.com/products/epz015666.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (283)
283

>  <Formula> (283)
C26H24N6O2S2

>  <MolWeight> (283)
516.63776

>  <Cat> (283)
S7792

>  <Name> (283)
SRT2104 (GSK2245840)

>  <Synonyms> (283)
N/A

>  <Target> (283)
Sirtuin

>  <Form> (283)
Free Base

>  <CAS> (283)
1093403-33-8

>  <URL> (283)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

$$$$
BRD73954.cdx
csChFnd80/10082116052D

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GSK J1

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N/A

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Histone Demethylase

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Free Base

>  <CAS> (288)
1373422-53-7

>  <URL> (288)
http://www.selleckchem.com/products/gsk-j1.html

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HDAC

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Free Base

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926259-99-6

>  <URL> (289)
http://www.selleckchem.com/products/bg45.html

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HTH-01-015.cdx
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HTH-01-015

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N/A

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AMPK

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Free Base

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1613724-42-7

>  <URL> (290)
http://www.selleckchem.com/products/hth-01-015.html

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Dorsomorphin.cdx
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AMPK

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Free Base

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866405-64-3

>  <URL> (291)
http://www.selleckchem.com/products/dorsomorphin.html

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HIF

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927822-86-4

>  <URL> (292)
http://www.selleckchem.com/products/kc7f2.html

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PFI-4

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N/A

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Epigenetic Reader Domain

>  <Form> (293)
Free Base

>  <CAS> (293)
900305-37-5

>  <URL> (293)
http://www.selleckchem.com/products/pfi-4.html

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C18H22N4O2

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>  <Name> (294)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (294)
N/A

>  <Target> (294)
JAK

>  <Form> (294)
Free Base

>  <CAS> (294)
944118-01-8

>  <URL> (294)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

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295

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C26H20ClN3O5

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GSK621

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N/A

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AMPK

>  <Form> (295)
Free Base

>  <CAS> (295)
1346607-05-3

>  <URL> (295)
http://www.selleckchem.com/products/gsk621.html

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296

>  <Formula> (296)
C15H24Cl2N2

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S7795

>  <Name> (296)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (296)
N/A

>  <Target> (296)
Histone Demethylase

>  <Form> (296)
Dihydrochloride

>  <CAS> (296)
1431326-61-2

>  <URL> (296)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
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>  <Target> (297)
JAK

>  <Form> (297)
Free Base

>  <CAS> (297)
944842-54-0

>  <URL> (297)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
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298

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>  <Target> (298)
ERK

>  <Form> (298)
Free Base

>  <CAS> (298)
896720-20-0

>  <URL> (298)
http://www.selleckchem.com/products/vx-11e.html

$$$$
NVP-TNKS656.cdx
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299

>  <Formula> (299)
C27H34N4O5

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>  <Cat> (299)
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>  <Name> (299)
NVP-TNKS656

>  <Synonyms> (299)
N/A

>  <Target> (299)
PARP

>  <Form> (299)
Free Base

>  <CAS> (299)
1419949-20-4

>  <URL> (299)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/10082116052D

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HIF

>  <Form> (300)
Free Base

>  <CAS> (300)
223387-75-5

>  <URL> (300)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/10082116052D

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301

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C16H18N4O2

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SGC707

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N/A

>  <Target> (301)
Histone Methyltransferase

>  <Form> (301)
Free Base

>  <CAS> (301)
1687736-54-4

>  <URL> (301)
http://www.selleckchem.com/products/sgc707.html

$$$$
Cucurbitacin B.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (302)
302

>  <Formula> (302)
C32H46O8

>  <MolWeight> (302)
558.70284

>  <Cat> (302)
S8165

>  <Name> (302)
Cucurbitacin B

>  <Synonyms> (302)
N/A

>  <Target> (302)
Microtubule Associated

>  <Form> (302)
Free Base

>  <CAS> (302)
6199-67-3

>  <URL> (302)
http://www.selleckchem.com/products/cucurbitacin-b.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (303)
303

>  <Formula> (303)
C13H14N8O2

>  <MolWeight> (303)
314.30266

>  <Cat> (303)
S8138

>  <Name> (303)
Molidustat(BAY 85-3934)

>  <Synonyms> (303)
N/A

>  <Target> (303)
HIF

>  <Form> (303)
Free Base

>  <CAS> (303)
1154028-82-6

>  <URL> (303)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
Mirin.cdx
csChFnd80/10082116052D

 15 16  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (304)
304

>  <Formula> (304)
C10H8N2O2S

>  <MolWeight> (304)
220.24772

>  <Cat> (304)
S8096

>  <Name> (304)
Mirin

>  <Synonyms> (304)
N/A

>  <Target> (304)
ATM/ATR

>  <Form> (304)
Free Base

>  <CAS> (304)
1198097-97-0

>  <URL> (304)
http://www.selleckchem.com/products/mirin.html

$$$$
GSK2879552.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (305)
305

>  <Formula> (305)
C23H30Cl2N2O2

>  <MolWeight> (305)
437.4025

>  <Cat> (305)
S7796

>  <Name> (305)
GSK2879552 2HCl

>  <Synonyms> (305)
N/A

>  <Target> (305)
Histone Demethylase

>  <Form> (305)
Dihydrochloride

>  <CAS> (305)
1401966-69-5

>  <URL> (305)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/10082116052D

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Daprodustat (GSK1278863)

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N/A

>  <Target> (306)
HIF

>  <Form> (306)
Free Base

>  <CAS> (306)
960539-70-2

>  <URL> (306)
http://www.selleckchem.com/products/daprodustat.html

$$$$
MS023.cdx
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C17H25N3O

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MS023

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N/A

>  <Target> (307)
Histone Methyltransferase

>  <Form> (307)
Free Base

>  <CAS> (307)
1831110-54-3

>  <URL> (307)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
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308

>  <Formula> (308)
C30H28N6O6S4

>  <MolWeight> (308)
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>  <Cat> (308)
S8068

>  <Name> (308)
Chaetocin

>  <Synonyms> (308)
N/A

>  <Target> (308)
Histone Methyltransferase

>  <Form> (308)
Free Base

>  <CAS> (308)
28097-03-2

>  <URL> (308)
http://www.selleckchem.com/products/chaetocin.html

$$$$
ON123300.cdx
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>  <Target> (309)
CDK

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Free Base

>  <CAS> (309)
1357470-29-1

>  <URL> (309)
http://www.selleckchem.com/products/on123300.html

$$$$
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   15.4912    3.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.2787    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8229   10.2326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3668   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    6.6359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7036    4.2000    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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 13  8  1  0  0  0  0
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 11 15  1  0  0  0  0
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 20 15  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 25  7  2  0  0  0  0
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 28 30  1  0  0  0  0
 17 31  1  1  0  0  0
 19 32  1  1  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C25H28N6O

>  <MolWeight> (310)
428.52942

>  <Cat> (310)
S7767

>  <Name> (310)
AZ6102

>  <Synonyms> (310)
AZ-6102

>  <Target> (310)
PPAR

>  <Form> (310)
Free Base

>  <CAS> (310)
1645286-75-4

>  <URL> (310)
http://www.selleckchem.com/products/az6102.html

$$$$
Oclacitinib maleate.cdx
csChFnd80/10082116052D

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7563    0.6947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3318    3.4927    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
 12 10  1  1  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
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 17 12  1  0  0  0  0
 15 18  1  6  0  0  0
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 24 25  2  0  0  0  0
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 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C19H27N5O6S

>  <MolWeight> (311)
453.51258

>  <Cat> (311)
S8195

>  <Name> (311)
Oclacitinib maleate

>  <Synonyms> (311)
PF-03394197

>  <Target> (311)
JAK

>  <Form> (311)
Free Base

>  <CAS> (311)
1640292-55-2

>  <URL> (311)
http://www.selleckchem.com/products/oclacitinib-maleate.html

$$$$
PF-CBP1.cdx
csChFnd80/10082116052D

 37 40  0  0  0  0  0  0  0  0999 V2000
    3.4282    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8037    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  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
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 25 18  2  0  0  0  0
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 29 30  2  0  0  0  0
 30 21  1  0  0  0  0
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 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C29H37ClN4O3

>  <MolWeight> (312)
525.08208

>  <Cat> (312)
S8180

>  <Name> (312)
PF-CBP1 HCL

>  <Synonyms> (312)
N/A

>  <Target> (312)
Epigenetic Reader Domain

>  <Form> (312)
Hydrochloride

>  <URL> (312)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1395    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.0514    0.0000    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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  5  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  1  1  0  0  0
 14 16  1  0  0  0  0
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 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 16  1  0  0  0  0
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 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
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 25 20  1  0  0  0  0
  8 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  8  1  0  0  0  0
M  END
>  <Mol_ID> (313)
313

>  <Formula> (313)
C22H28N4O2

>  <MolWeight> (313)
380.48332

>  <Cat> (313)
S8111

>  <Name> (313)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (313)
EPZ015866, GSK3203591

>  <Target> (313)
Histone Methyltransferase

>  <Form> (313)
Free Base

>  <CAS> (313)
1616391-87-7

>  <URL> (313)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
AG-120 (Ivosidenib).cdx
csChFnd80/10082116052D

 41 45  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (314)
314

>  <Formula> (314)
C28H22ClF3N6O3

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S8206

>  <Synonyms> (314)
N/A

>  <Target> (314)
Dehydrogenase

>  <Form> (314)
Free Base

>  <CAS> (314)
1448347-49-6

>  <URL> (314)
http://www.selleckchem.com/products/ag-120-Ivosidenib.html

$$$$
HLCL-61.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (315)
315

>  <Formula> (315)
C23H25ClN2O

>  <MolWeight> (315)
380.9104

>  <Cat> (315)
S8209

>  <Name> (315)
HLCL-61 hydrochloride

>  <Synonyms> (315)
HLCL61

>  <Target> (315)
Histone Methyltransferase

>  <Form> (315)
Hydrochloride

>  <CAS> (315)
1158279-20-9

>  <URL> (315)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
I-BRD9 (GSK602).cdx
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>  <Mol_ID> (316)
316

>  <Formula> (316)
C22H22F3N3O3S2

>  <MolWeight> (316)
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>  <Cat> (316)
S7835

>  <Name> (316)
I-BRD9 (GSK602)

>  <Synonyms> (316)
GSK602

>  <Target> (316)
Epigenetic Reader Domain

>  <Form> (316)
Free Base

>  <CAS> (316)
1714146-59-4

>  <URL> (316)
http://www.selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (317)
317

>  <Formula> (317)
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>  <MolWeight> (317)
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>  <Cat> (317)
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>  <Name> (317)
ETC-1002

>  <Synonyms> (317)
Bempedoic acid|ESP-55016

>  <Target> (317)
AMPK

>  <Form> (317)
Free Base

>  <CAS> (317)
738606-46-7

>  <URL> (317)
http://www.selleckchem.com/products/etc-1002.html

$$$$
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1446502-11-9

>  <URL> (318)
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Histone Demethylase

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2098902-68-0

>  <URL> (319)
http://www.selleck.cn/products/kdm4d-in1.html

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Epigenetic Reader Domain

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Free Base

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1883429-21-7

>  <URL> (320)
http://www.selleckchem.com/products/bi-7273.html

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Histone Methyltransferase

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1527503-11-2

>  <URL> (322)
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$$$$
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Niraparib tosylate, MK 4827 tosylate

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PARP

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4-?methylbenzen

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1038915-73-9

>  <URL> (323)
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ITSA-1 (ITSA1)

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N/A

>  <Target> (324)
HDAC

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Free Base

>  <CAS> (324)
200626-61-5

>  <URL> (324)
http://www.selleckchem.com/products/itsa-1-itsa1.html

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C28H29ClN4O3

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LY333531 HCl

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Ruboxistaurin

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PKC

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hydrochloride

>  <CAS> (325)
169939-93-9

>  <URL> (325)
http://www.selleckchem.com/products/ly333531.html

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1883429-22-8

>  <URL> (326)
http://www.selleckchem.com/products/bi-9564.html

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EGFR

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113104-25-9

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JAK

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1271022-90-2

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http://www.selleckchem.com/products/bms-911543.html

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LLY-507

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N/A

>  <Target> (329)
Histone Methyltransferase

>  <Form> (329)
Free Base

>  <CAS> (329)
1793053-37-8

>  <URL> (329)
http://www.selleckchem.com/products/lly-507.html

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Free Base

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130209-82-4

>  <URL> (330)
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>  <Mol_ID> (331)
331

>  <Formula> (331)
C22H22N6O

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CPI-637

>  <Synonyms> (331)
N/A

>  <Target> (331)
Epigenetic Reader Domain

>  <Form> (331)
Free Base

>  <CAS> (331)
1884712-47-3

>  <URL> (331)
http://www.selleckchem.com/products/cpi-637.html

$$$$
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>  <Mol_ID> (332)
332

>  <Formula> (332)
C29H32F3N5O3

>  <MolWeight> (332)
555.5912896

>  <Cat> (332)
S7833

>  <Name> (332)
OICR-9429

>  <Synonyms> (332)
N/A

>  <Target> (332)
Histone Methyltransferase

>  <Form> (332)
Free Base

>  <CAS> (332)
1801787-56-3

>  <URL> (332)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
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>  <Mol_ID> (333)
333

>  <Formula> (333)
C27H33F3N4O3

>  <MolWeight> (333)
518.5711296

>  <Cat> (333)
S8353

>  <Name> (333)
CPI-1205

>  <Synonyms> (333)
CPI 1205, CPI1205

>  <Target> (333)
Histone Methyltransferase

>  <Form> (333)
Free Base

>  <CAS> (333)
1621862-70-1

>  <URL> (333)
http://www.selleckchem.com/products/cpi-1205.html

$$$$

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>  <Mol_ID> (334)
334

>  <Formula> (334)
C20H25N3O2

>  <MolWeight> (334)
339.4314

>  <Cat> (334)
S1073

>  <Name> (334)
BML210/CAY10433

>  <Synonyms> (334)
N/A

>  <Target> (334)
HDAC

>  <Form> (334)
Free Base

>  <CAS> (334)
537034-17-6

>  <URL> (334)
http://www.selleck.cn/products/bml210-cay10433.html

$$$$
BGP-15.cdx
csChFnd80/10082116052D

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   16.7347    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   21.5844    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1595    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   24.1496    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   24.1496    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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M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C14H24Cl2N4O2

>  <MolWeight> (335)
351.27196

>  <Cat> (335)
S8370

>  <Name> (335)
BGP-15 2HCl

>  <Synonyms> (335)
N/A

>  <Target> (335)
PARP

>  <Form> (335)
dihydrochloride

>  <CAS> (335)
66611-37-8

>  <URL> (335)
http://www.selleckchem.com/products/bgp-15.html

$$$$
CPI-455.cdx
csChFnd80/10082116052D

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    7.0455    3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C16H15ClN4O

>  <MolWeight> (336)
314.7695

>  <Cat> (336)
S8287

>  <Name> (336)
CPI-455 HCl

>  <Synonyms> (336)
N/A

>  <Target> (336)
Histone Demethylase

>  <Form> (336)
hydrochloride

>  <CAS> (336)
1628208-23-0(free base)

>  <URL> (336)
http://www.selleckchem.com/products/cpi-455.html

$$$$
ML-7.cdx
csChFnd80/10082116052D

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 10  5  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C15H18ClIN2O2S

>  <MolWeight> (337)
452.73809

>  <Cat> (337)
S8388

>  <Name> (337)
ML-7 HCl

>  <Synonyms> (337)
N/A

>  <Target> (337)
Others

>  <Form> (337)
hydrochloride

>  <CAS> (337)
110448-33-4

>  <URL> (337)
http://www.selleckchem.com/products/ml-7.html

$$$$
UNC3866.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C43H66N6O8

>  <MolWeight> (338)
795.01954

>  <Cat> (338)
S8359

>  <Name> (338)
UNC3866

>  <Synonyms> (338)
Free Base

>  <Target> (338)
Histone Methyltransferase

>  <Form> (338)
Free Base

>  <CAS> (338)
1872382-47-2

>  <URL> (338)
http://www.selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/10082116052D

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>  <Synonyms> (339)
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>  <Target> (339)
Histone Methyltransferase

>  <Form> (339)
dihydrochloride

>  <CAS> (339)
1502816-23-0(free base)

>  <URL> (339)
http://www.selleckchem.com/products/ms049.html

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STO-609

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N/A

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CaMK

>  <Form> (340)
Free Base

>  <CAS> (340)
52029-86-4

>  <URL> (340)
http://www.selleckchem.com/products/sto-609.html

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SRT2183

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N/A

>  <Target> (341)
Sirtuin

>  <Form> (341)
Free Base

>  <CAS> (341)
1001908-89-9

>  <URL> (341)
http://www.selleckchem.com/products/srt2183.html

$$$$
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N/A

>  <Target> (342)
Histone Methyltransferase

>  <Form> (342)
Free Base

>  <CAS> (342)
1255580-76-7

>  <URL> (342)
http://www.selleckchem.com/products/unc0638.html

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>  <Mol_ID> (343)
343

>  <Formula> (343)
C25H40Cl2N4O3

>  <MolWeight> (343)
515.5161

>  <Cat> (343)
S7820

>  <Name> (343)
EPZ020411 2HCl

>  <Synonyms> (343)
N/A

>  <Target> (343)
Histone Methyltransferase

>  <Form> (343)
dihydrochloride

>  <CAS> (343)
1700663-41-7(free base)

>  <URL> (343)
http://www.selleckchem.com/products/epz020411.html

$$$$
MI-463.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (344)
344

>  <Formula> (344)
C24H23F3N6S

>  <MolWeight> (344)
484.5398296

>  <Cat> (344)
S7816

>  <Name> (344)
MI-463

>  <Synonyms> (344)
N/A

>  <Target> (344)
Histone Methyltransferase

>  <Form> (344)
Free Base

>  <CAS> (344)
1628317-18-9

>  <URL> (344)
http://www.selleckchem.com/products/mi-463.html

$$$$
RRx-001.cdx
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M  END
>  <Mol_ID> (345)
345

>  <Formula> (345)
C5H6BrN3O5

>  <MolWeight> (345)
268.02224

>  <Cat> (345)
S8405

>  <Name> (345)
RRx-001

>  <Synonyms> (345)
N/A

>  <Target> (345)
Dehydrogenase

>  <Form> (345)
Free Base

>  <CAS> (345)
925206-65-1

>  <URL> (345)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (346)
346

>  <Formula> (346)
C34H51N3O3S

>  <MolWeight> (346)
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>  <Cat> (346)
S8245

>  <Name> (346)
Thiomyristoyl

>  <Synonyms> (346)
TM

>  <Target> (346)
Sirtuin

>  <Form> (346)
Free Base

>  <CAS> (346)
1429749-41-6

>  <URL> (346)
http://www.selleckchem.com/products/thiomyristoyl.html

$$$$
Salermide.cdx
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>  <Mol_ID> (347)
347

>  <Formula> (347)
C26H22N2O2

>  <MolWeight> (347)
394.46508

>  <Cat> (347)
S8460

>  <Name> (347)
Salermide

>  <Synonyms> (347)
N/A

>  <Target> (347)
Sirtuin

>  <Form> (347)
Free Base

>  <CAS> (347)
1105698-15-4

>  <URL> (347)
http://www.selleckchem.com/products/salermide.html

$$$$
YC-1.cdx
csChFnd80/10082116052D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (348)
348

>  <Formula> (348)
C19H16N2O2

>  <MolWeight> (348)
304.34254

>  <Cat> (348)
S7958

>  <Name> (348)
Lificiguat(YC-1)

>  <Synonyms> (348)
N/A

>  <Target> (348)
HIF

>  <Form> (348)
Free Base

>  <CAS> (348)
170632-47-0

>  <URL> (348)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
S8291 Atractylenolide I.cdx
csChFnd80/10082116052D

 18 20  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (349)
349

>  <Formula> (349)
C15H18O2

>  <MolWeight> (349)
230.30222

>  <Cat> (349)
S8291

>  <Name> (349)
Atractylenolide I

>  <Synonyms> (349)
N/A

>  <Target> (349)
Immunology & Inflammation related

>  <Form> (349)
Free Base

>  <CAS> (349)
73069-13-3
73069-13-3

>  <URL> (349)
http://www.selleckchem.com/products/atractylenolide-i.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/10082116052D

 32 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (350)
350

>  <Formula> (350)
C22H19F2N3O4S

>  <MolWeight> (350)
459.4657664

>  <Cat> (350)
S8400

>  <Name> (350)
ABBV-075 (Mivebresib)

>  <Synonyms> (350)
N/A

>  <Target> (350)
Epigenetic Reader Domain

>  <Form> (350)
Free Base

>  <CAS> (350)
1445993-26-9

>  <URL> (350)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/10082116052D

 33 35  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (351)
351

>  <Formula> (351)
C24H26ClN5O3

>  <MolWeight> (351)
467.94794

>  <Cat> (351)
S8464

>  <Name> (351)
Citarinostat (ACY-241)

>  <Synonyms> (351)
HDAC-IN-2

>  <Target> (351)
HDAC

>  <Form> (351)
Free Base

>  <CAS> (351)
1316215-12-9

>  <URL> (351)
http://www.selleckchem.com/products/citarinostat-acy-241.html

$$$$

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Aurora Kinase Inhibitor III

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N/A

>  <Target> (352)
Aurora Kinase

>  <Form> (352)
Free Base

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879127-16-9

>  <URL> (352)
http://www.selleck.cn/products/aurora-kinase-inhibitor-iii.html

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N/A

>  <Target> (353)
PARP

>  <Form> (353)
Free Base

>  <CAS> (353)
1140964-99-3

>  <URL> (353)
http://www.selleckchem.com/products/e7449.html

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N/A

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HIF

>  <Form> (354)
Free Base

>  <CAS> (354)
1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (354)
http://www.selleckchem.com/products/mk-8617.html

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>  <Target> (355)
PARP

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>  <CAS> (355)
1262417-51-5

>  <URL> (355)
http://www.selleckchem.com/products/nms-p118.html

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>  <Mol_ID> (356)
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>  <Formula> (356)
C22H27N5O3

>  <MolWeight> (356)
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>  <Cat> (356)
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GSK6853

>  <Synonyms> (356)
N/A

>  <Target> (356)
Epigenetic Reader Domain

>  <Form> (356)
Free Base

>  <CAS> (356)
1910124-24-1

>  <URL> (356)
http://www.selleckchem.com/products/gsk6853.html

$$$$
SRT3025.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (357)
357

>  <Formula> (357)
C31H32ClN5O2S2

>  <MolWeight> (357)
606.20108

>  <Cat> (357)
S8481

>  <Name> (357)
SRT3025 HCl

>  <Synonyms> (357)
N/A

>  <Target> (357)
Sirtuin activator

>  <Form> (357)
hydrochloride

>  <CAS> (357)
2070015-26-6

>  <URL> (357)
http://www.selleckchem.com/products/srt3025.html

$$$$
EED226.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (358)
358

>  <Formula> (358)
C17H15N5O3S

>  <MolWeight> (358)
369.3977

>  <Cat> (358)
S8496

>  <Name> (358)
EED226

>  <Synonyms> (358)
N/A

>  <Target> (358)
Epigenetic Reader Domain

>  <Form> (358)
Free Base

>  <CAS> (358)
2083627-02-3

>  <URL> (358)
http://www.selleckchem.com/products/eed226.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (359)
359

>  <Formula> (359)
C28H41Cl3N6O2

>  <MolWeight> (359)
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>  <Cat> (359)
S8006

>  <Name> (359)
BIX 01294

>  <Synonyms> (359)
N/A

>  <Target> (359)
Histone Methyltransferase

>  <Form> (359)
trihydrochloride

>  <CAS> (359)
1392399-03-9

>  <URL> (359)
http://www.selleckchem.com/products/bix-01294.html

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

>  <Formula> (360)
C33H34N4O3

>  <MolWeight> (360)
534.64806

>  <Cat> (360)
S7552

>  <Name> (360)
CFI-400945

>  <Synonyms> (360)
N/A

>  <Target> (360)
PLK

>  <Form> (360)
Free Base

>  <CAS> (360)
1338806-73-7

>  <URL> (360)
http://www.selleckchem.com/products/cfi-400945.html

$$$$
Cl-amidine.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (361)
361

>  <Formula> (361)
C16H20ClF3N4O4

>  <MolWeight> (361)
424.8026096

>  <Cat> (361)
S8141

>  <Name> (361)
Cl-amidine

>  <Synonyms> (361)
N/A

>  <Target> (361)
Immunology & Inflammation related

>  <Form> (361)
trifluoroacetate

>  <CAS> (361)
1043444-18-3

>  <URL> (361)
http://www.selleckchem.com/products/cl-amidine.html

$$$$
A-196.cdx
csChFnd80/10082116052D

 24 27  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> (362)
362

>  <Formula> (362)
C18H16Cl2N4

>  <MolWeight> (362)
359.25244

>  <Cat> (362)
S7983

>  <Name> (362)
S7983
S7983
A-196

>  <Synonyms> (362)
N/A

>  <Target> (362)
SUV420H1,SUV420H2

>  <Form> (362)
free base

>  <CAS> (362)
1982372-88-2

>  <URL> (362)
http://www.selleckchem.com/products/a-196.html

$$$$
SGC2085.cdx
csChFnd80/10082116052D

 23 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C19H24N2O2

>  <MolWeight> (363)
312.40606

>  <Cat> (363)
S8340

>  <Name> (363)
SGC2085

>  <Synonyms> (363)
N/A

>  <Target> (363)
CARM1

>  <Form> (363)
free base

>  <CAS> (363)
1821908-48-8

>  <URL> (363)
http://www.selleckchem.com/products/sgc2085.html

$$$$
TMP195.cdx
csChFnd80/10082116052D

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1174428-47-7

>  <URL> (365)
http://www.selleckchem.com/products/sf2523.html

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N/A

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Syk,FLT3,ZAP-70,JAK3,VEGFR2

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hydrochloride 

>  <CAS> (366)
1952251-28-3

>  <URL> (366)
http://www.selleckchem.com/products/tak-659.html

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>  <URL> (367)
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>  <Formula> (368)
C22H19FN4O2

>  <MolWeight> (368)
390.4102632

>  <Cat> (368)
S8567

>  <Name> (368)
Tucidinostat (Chidamide)

>  <Synonyms> (368)
HBI-8000, CS-055

>  <Target> (368)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (368)
free base

>  <CAS> (368)
743420-02-2

>  <URL> (368)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

$$$$
3-TYP.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (369)
369

>  <Formula> (369)
C7H6N4

>  <MolWeight> (369)
146.14934

>  <Cat> (369)
S8628

>  <Name> (369)
3-TYP

>  <Synonyms> (369)
3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (369)
SIRT3,SIRT1,SIRT2

>  <Form> (369)
free base

>  <CAS> (369)
120241-79-4

>  <URL> (369)
http://www.selleckchem.com/products/3-typ.html

$$$$
PF-06726304.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (370)
370

>  <Formula> (370)
C22H21Cl2N3O3

>  <MolWeight> (370)
446.32644

>  <Cat> (370)
S8494

>  <Name> (370)
PF-06726304

>  <Synonyms> (370)
PF-6726304

>  <Target> (370)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (370)
free base

>  <CAS> (370)
1616287-82-1

>  <URL> (370)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
ACSS2 inhibitor.cdx
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (371)
371

>  <Formula> (371)
C20H18N4O2S2

>  <MolWeight> (371)
410.51252

>  <Cat> (371)
S8588

>  <Name> (371)
ACSS2 inhibitor

>  <Synonyms> (371)
N/A

>  <Target> (371)
ACSS2

>  <Form> (371)
free base

>  <CAS> (371)
508186-14-9

>  <URL> (371)
http://www.selleckchem.com/products/acss2-inhibitor.html

$$$$
PF-06409577.cdx
csChFnd80/10082116052D

 24 27  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (372)
372

>  <Formula> (372)
C19H16ClNO3

>  <MolWeight> (372)
341.78824

>  <Cat> (372)
S8335

>  <Name> (372)
PF-06409577

>  <Synonyms> (372)
N/A

>  <Target> (372)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (372)
free base

>  <CAS> (372)
1467057-23-3

>  <URL> (372)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
ACY-738.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (373)
373

>  <Formula> (373)
C14H14N4O2

>  <MolWeight> (373)
270.28656

>  <Cat> (373)
S8648

>  <Name> (373)
ACY-738

>  <Synonyms> (373)
N/A

>  <Target> (373)
HDAC6

>  <Form> (373)
free base

>  <CAS> (373)
1375465-91-0

>  <URL> (373)
http://www.selleckchem.com/products/acy-738.html

$$$$
FM-381.cdx
csChFnd80/10082116052D

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374

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N/A

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JAK3

>  <Form> (374)
free base

>  <CAS> (374)
No

>  <URL> (374)
http://www.selleckchem.com/products/fm-381.html

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/10082116052D

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375

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C24H32N6O3

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GSK3326595 (EPZ015938)

>  <Synonyms> (375)
N/A

>  <Target> (375)
PRMT5

>  <Form> (375)
free base

>  <CAS> (375)
1616392-22-3

>  <URL> (375)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

$$$$
Adenosine Dialdehyde (ADOX).cdx
csChFnd80/10082116052D

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>  <Mol_ID> (376)
376

>  <Formula> (376)
C10H11N5O4

>  <MolWeight> (376)
265.22544

>  <Cat> (376)
S8608

>  <Name> (376)
Adenosine Dialdehyde (ADOX)

>  <Synonyms> (376)
N/A

>  <Target> (376)
AdoHcy hydrolase

>  <Form> (376)
free base

>  <CAS> (376)
34240-05-6

>  <URL> (376)
http://www.selleckchem.com/products/adenosine-dialdehyde-adox.html

$$$$
OSS_128167.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (377)
377

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C19H14N2O6

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>  <Cat> (377)
S8627

>  <Name> (377)
OSS-128167

>  <Synonyms> (377)
SIRT6-IN-1

>  <Target> (377)
SIRT6,SIRT1,SIRT2

>  <Form> (377)
free base

>  <CAS> (377)
887686-02-4

>  <URL> (377)
http://www.selleckchem.com/products/oss-128167.html

$$$$
S4770 Creatine phosphate disodium salt.cdx
csChFnd80/10082116052D

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378

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C4H8N3Na2O5P

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S4770

>  <Name> (378)
Creatine phosphate disodium salt

>  <Synonyms> (378)
Phosphocreatine disodium salt

>  <Target> (378)
Others

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disodium salt

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922-32-7

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1481677-78-4

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S5209 Enoxacin Sesquihydrate.cdx
csChFnd80/10082116052D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.0541    2.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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A   23
?1.5H2O?
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C15H17FN4O3R

>  <MolWeight> (383)
320.3188832

>  <Cat> (383)
S5209

>  <Name> (383)
Enoxacin Sesquihydrate

>  <Synonyms> (383)
Enoxacin hydrate

>  <Target> (383)
Anti-infection

>  <Form> (383)
sesquihydrate

>  <CAS> (383)
84294-96-2

>  <URL> (383)
http://selleckchem.com/products/enoxacin-sesquihydrate.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/10082116052D

 40 45  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C26H23F4N9O

>  <MolWeight> (384)
553.5141328

>  <Cat> (384)
S7812

>  <Name> (384)
Itacitinib (INCB39110)

>  <Synonyms> (384)
N/A

>  <Target> (384)
JAK

>  <Form> (384)
free base

>  <CAS> (384)
1334298-90-6

>  <URL> (384)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
SNS-314.cdx
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C18H15ClN6OS2

>  <MolWeight> (385)
430.9343

>  <Cat> (385)
S8699

>  <Name> (385)
SNS-314 Mesylate

>  <Synonyms> (385)
N/A

>  <Target> (385)
Aurora Kinase

>  <CAS> (385)
1057249-41-8

>  <URL> (385)
http://selleckchem.com/products/sns-314.html

$$$$
S5269 J147.cdx
csChFnd80/10082116052D

 25 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C18H17F3N2O2

>  <MolWeight> (386)
350.3349896

>  <Cat> (386)
S5269

>  <Name> (386)
J147

>  <Synonyms> (386)
N/A

>  <Target> (386)
Others

>  <Form> (386)
free base

>  <CAS> (386)
1146963-51-0

>  <URL> (386)
http://selleckchem.com/products/j147.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/10082116052D

 24 25  0  0  0  0  0  0  0  0999 V2000
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   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C10H16N5O8P

>  <MolWeight> (387)
365.236501

>  <Cat> (387)
S5284

>  <Name> (387)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (387)
5'-Adenylic acid, 5'-AMP

>  <Target> (387)
AMPK

>  <Form> (387)
hydrate 

>  <CAS> (387)
18422-05-4

>  <URL> (387)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/10082116052D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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    6.3506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3506    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  1  0  0  0  0  0  0  0  0  0
    2.1678    8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    7.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    9.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9312   11.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6521   10.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    9.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    8.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726    9.5979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    2.8229    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    1.4277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    4.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    2.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 14 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C17H21N6O4P

>  <MolWeight> (388)
404.360201

>  <Cat> (388)
S5243

>  <Name> (388)
Ruxolitinib Phosphate

>  <Synonyms> (388)
INCB018424, INC424

>  <Target> (388)
JAK

>  <Form> (388)
phosphate 

>  <CAS> (388)
1092939-17-7

>  <URL> (388)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5262 UNC-926.cdx
csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2125    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1067    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.4067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    3.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8250    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6922    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    5.5067    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
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 12 19  1  0  0  0  0
  8 20  2  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C16H21BrN2O

>  <MolWeight> (389)
337.25474

>  <Cat> (389)
S5262

>  <Name> (389)
UNC-926

>  <Synonyms> (389)
N/A

>  <Target> (389)
Others

>  <Form> (389)
free base

>  <CAS> (389)
1184136-10-4

>  <URL> (389)
http://selleckchem.com/products/unc-926.html

$$$$
S5449 3-Methoxybenzamide.cdx
csChFnd80/10082116052D

 11 11  0  0  0  0  0  0  0  0999 V2000
    1.2184    2.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110    2.0880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4345    0.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0130    0.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307    4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2308    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6498    0.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8622    0.7062    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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C8H9NO2

>  <MolWeight> (390)
151.16256

>  <Cat> (390)
S5449

>  <Name> (390)
3-Methoxybenzamide

>  <Synonyms> (390)
3-MBA

>  <Target> (390)
Transferase

>  <Form> (390)
free base

>  <CAS> (390)
5813-86-5

>  <URL> (390)
http://selleckchem.com/products/3-methoxybenzamide.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/10082116052D

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.1876    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
    0.7000    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.4000    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
    8.4000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    1.4000    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
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C12H9ClO2S

>  <MolWeight> (391)
252.71666

>  <Cat> (391)
S5438

>  <Name> (391)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (391)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (391)
HDAC

>  <Form> (391)
free base

>  <CAS> (391)
1623-93-4

>  <URL> (391)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5440 Berberine Sulfate.cdx
csChFnd80/10082116052D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    7.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.5157    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 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
    2.4249    0.0000    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
   13.1300    2.5311    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5300    2.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    1.1311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1300    3.9311    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 13  2  0  0  0  0
 10 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C20H19NO8S

>  <MolWeight> (392)
433.43176

>  <Cat> (392)
S5440

>  <Name> (392)
Berberine Sulfate

>  <Synonyms> (392)
Umbellatine Sulfate

>  <Target> (392)
Anti-infection

>  <Form> (392)
sulfate 

>  <CAS> (392)
633-66-9

>  <URL> (392)
http://selleckchem.com/products/berberine-sulfate.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/10082116052D

 34 37  0  0  0  0  0  0  0  0999 V2000
    4.8451    1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8451    3.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6309    1.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    4.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0602    4.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4227    1.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2726    1.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4226    3.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6251    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2781    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9121    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6989    1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6989    3.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    1.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3353    1.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    3.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    4.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5483    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7604    1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    4.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9730    1.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.3169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7606    5.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1854    1.2169    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.3978    0.5169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4850    0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8850    2.4286    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  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  7  9  2  0  0  0  0
  8 13  1  0  0  0  0
  8 11  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  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  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
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  1  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
 27 30  1  0  0  0  0
 28 31  1  0  0  0  0
 28 29  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 31 34  2  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C21H16N2O9S2

>  <MolWeight> (393)
504.48974

>  <Cat> (393)
S5445

>  <Name> (393)
AMI-1, free acid

>  <Synonyms> (393)
N/A

>  <Target> (393)
Histone Methyltransferase

>  <Form> (393)
free base

>  <CAS> (393)
134-47-4

>  <URL> (393)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S5457 Curculigoside.cdx
csChFnd80/10082116052D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    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
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    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    8.4000    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
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   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
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   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    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  2  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
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  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
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 21 18  1  1  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 22  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  1  0  0  0
 27 31  1  1  0  0  0
 27 29  1  0  0  0  0
 29 32  1  6  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C22H26O11

>  <MolWeight> (394)
466.43524

>  <Cat> (394)
S5457

>  <Name> (394)
Curculigoside

>  <Synonyms> (394)
Curculigoside A

>  <Target> (394)
Immunology & Inflammation related

>  <Form> (394)
free base

>  <CAS> (394)
85643-19-2

>  <URL> (394)
http://selleckchem.com/products/curculigoside.html

$$$$
S5458 Verbascoside.cdx
csChFnd80/10082116052D

 44 47  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    7.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    8.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    7.7088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    6.3081    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9127    5.6077    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1259    6.3082    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4868    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6985    3.5085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.2081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2685    3.5047    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2685    2.0984    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4837    1.3968    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6956    2.0965    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9036    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4837    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0591    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    4.2029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    9.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002   10.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9127    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3387    5.6080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5510    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7635    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9759    6.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883    5.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    6.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3993    7.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1886    8.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9782    7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6138    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6133    5.6060    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
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  6 11  2  0  0  0  0
  9 12  1  0  0  0  0
  8 13  1  0  0  0  0
  3  6  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
 14 19  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
 21 26  1  0  0  0  0
 26 27  1  1  0  0  0
 25 28  1  6  0  0  0
 24 29  1  1  0  0  0
 23 30  1  1  0  0  0
 22 20  1  6  0  0  0
 17 20  1  1  0  0  0
 31 32  1  0  0  0  0
 15 31  1  1  0  0  0
 18 33  1  6  0  0  0
 35 36  1  0  0  0  0
 34 35  1  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 42  1  0  0  0  0
 37 42  2  0  0  0  0
 40 43  1  0  0  0  0
 39 44  1  0  0  0  0
 36 37  1  0  0  0  0
 19 34  1  1  0  0  0
 16  5  1  6  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C29H36O15

>  <MolWeight> (395)
624.58714

>  <Cat> (395)
S5458

>  <Name> (395)
Verbascoside

>  <Synonyms> (395)
Acteoside, Kusaginin

>  <Target> (395)
Immunology & Inflammation related

>  <Form> (395)
free base

>  <CAS> (395)
61276-17-3

>  <URL> (395)
http://selleckchem.com/products/verbascoside.html

$$$$
S5554 Lanatoside C.cdx
csChFnd80/10082116052D

 72 80  0  0  0  0  0  0  0  0999 V2000
   27.7632   15.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.7632   16.8217    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.5586   14.7207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.0955   14.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9166   14.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0955   17.2577    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   17.5267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.9166   18.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3415   15.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.5586   13.3115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9155   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5309   18.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3288   16.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5717   18.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   14.7207    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.3415   12.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7109   19.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8633   19.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   13.3115    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9075   15.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1117   16.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (396)
396

>  <Formula> (396)
C49H76O20

>  <MolWeight> (396)
985.11574

>  <Cat> (396)
S5554

>  <Name> (396)
Lanatoside C

>  <Synonyms> (396)
N/A

>  <Target> (396)
ATPase

>  <Form> (396)
free base

>  <CAS> (396)
17575-22-3

>  <URL> (396)
http://selleckchem.com/products/lanatoside-c.html

$$$$
S5582 Cytarabine hydrochloride.cdx
csChFnd80/10082116052D

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>  <Formula> (397)
C9H14ClN3O5

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S5582

>  <Name> (397)
Cytarabine hydrochloride

>  <Synonyms> (397)
N/A

>  <Target> (397)
DNA/RNA Synthesis

>  <Form> (397)
hydrochloride 

>  <CAS> (397)
69-74-9

>  <URL> (397)
http://selleckchem.com/products/cytarabine-hydrochloride.html

$$$$
S5588 Creatine.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (398)
398

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C4H9N3O2

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S5588

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Creatine

>  <Synonyms> (398)
Methylguanidoacetic acid

>  <Target> (398)
Others

>  <Form> (398)
free base

>  <CAS> (398)
57-00-1

>  <URL> (398)
http://selleckchem.com/products/creatine.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (399)
399

>  <Formula> (399)
C20H18O6

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S3934

>  <Name> (399)
Acetyl Resveratrol

>  <Synonyms> (399)
N/A

>  <Target> (399)
Sirt12

>  <Form> (399)
free base

>  <CAS> (399)
42206-94-0

>  <URL> (399)
http://selleckchem.com/products/.html

$$$$
S5205 Nilotinib  hydrochloride.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C28H23ClF3N7O

>  <MolWeight> (400)
565.9767296

>  <Cat> (400)
S5205

>  <Name> (400)
Nilotinib hydrochloride

>  <Synonyms> (400)
AMN-107 HCl

>  <Target> (400)
Bcr-Abl

>  <Form> (400)
hydrochloride 

>  <CAS> (400)
923288-95-3

>  <URL> (400)
http://selleckchem.com/products/nilotinib-hydrochloride.html

$$$$
S5500 Amodiaquine hydrochloride.cdx
csChFnd80/10082116052D

 27 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
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  2 10  2  0  0  0  0
 11  2  1  0  0  0  0
  2  9  1  0  0  0  0
  5  3  1  0  0  0  0
 16  3  1  0  0  0  0
  6  4  1  0  0  0  0
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 12  5  1  0  0  0  0
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 17  7  2  0  0  0  0
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 21  9  1  0  0  0  0
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M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C20H24Cl3N3O

>  <MolWeight> (401)
428.78306

>  <Cat> (401)
S5500

>  <Name> (401)
Amodiaquine hydrochloride

>  <Synonyms> (401)
N/A

>  <Target> (401)
HnMT

>  <Form> (401)
dihydrochloride 

>  <CAS> (401)
69-44-3

>  <URL> (401)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/10082116052D

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4335    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    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> (402)
402

>  <Formula> (402)
C8H6N2O

>  <MolWeight> (402)
146.14604

>  <Cat> (402)
S9360

>  <Name> (402)
4-Hydroxyquinazoline

>  <Form> (402)
free base

>  <CAS> (402)
491-36-1

$$$$
S9401 3,6'-Disinapoyl sucrose.cdx
csChFnd80/10082116052D

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   15.7623    6.2995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.0516    7.6713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.5491    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5491    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3671    6.1547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7623    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359    2.0998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3359    4.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1226    2.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1226    4.1997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.9027   11.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1812   12.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 20  2  0  0  0  0
 35 21  2  0  0  0  0
  1 36  1  6  0  0  0
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 10 40  1  6  0  0  0
 41 13  1  0  0  0  0
 42 14  1  0  0  0  0
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 44 19  1  0  0  0  0
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 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
M  END
>  <Mol_ID> (403)
403

>  <Formula> (403)
C34H42O19

>  <MolWeight> (403)
754.68588

>  <Cat> (403)
S9401

>  <Name> (403)
 3,6'-Disinapoyl sucrose

>  <Form> (403)
free base

>  <CAS> (403)
139891-98-8

$$$$
S9431 Dehydrocorydalin.cdx
csChFnd80/10082116052D

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    6.0490    6.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (404)
404

>  <Formula> (404)
C22H24NO4+

>  <MolWeight> (404)
366.43026

>  <Cat> (404)
S9431

>  <Name> (404)
Dehydrocorydalin

>  <Form> (404)
free base

>  <CAS> (404)
30045-16-0

$$$$
S9432 Ginkgolic Acid.cdx
csChFnd80/10082116052D

 25 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (405)
405

>  <Formula> (405)
C22H34O3

>  <MolWeight> (405)
346.50356

>  <Cat> (405)
S9432

>  <Name> (405)
Ginkgolic Acid

>  <Form> (405)
free base

>  <CAS> (405)
22910-60-7

$$$$
S9445 Ginkgolic Acid (C130).cdx
csChFnd80/10082116052D

 23 23  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (406)
406

>  <Formula> (406)
C20H32O3

>  <MolWeight> (406)
320.46628

>  <Cat> (406)
S9445

>  <Name> (406)
Ginkgolic Acid (C130)

>  <Form> (406)
free base

>  <CAS> (406)
20261-38-5

$$$$

csChFnd80/10082116052D

 12 12  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (407)
407

>  <Formula> (407)
C6H6Br6

>  <MolWeight> (407)
557.53584

>  <Cat> (407)
S5902

>  <Name> (407)
1,2,3,4,5,6-Hexabromocyclohexane

>  <Synonyms> (407)
NSC7908

>  <Target> (407)
JAK

>  <Form> (407)
Free Base

>  <CAS> (407)
1837-91-8

>  <URL> (407)
http://www.selleckchem.com/products/hexabromocyclohexane.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C16H15N3O3

>  <MolWeight> (408)
297.3086

>  <Cat> (408)
S5903

>  <Name> (408)
JANEX-1

>  <Synonyms> (408)
WHI-P131

>  <Target> (408)
JAK

>  <Form> (408)
Free Base

>  <CAS> (408)
202475-60-3

>  <URL> (408)
http://www.selleckchem.com/products/janex-1.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C16H13Br2N3O3

>  <MolWeight> (409)
455.10072

>  <Cat> (409)
S5904

>  <Name> (409)
WHI-P97

>  <Synonyms> (409)
N/A

>  <Target> (409)
JAK

>  <Form> (409)
Free Base

>  <CAS> (409)
211555-05-4

>  <URL> (409)
http://www.selleckchem.com/products/whi-p97.html

$$$$

csChFnd80/10082116052D

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   13.3855    1.9977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2837    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0688    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6442    2.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2147    2.1086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4296    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4174    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C8H16N2O4

>  <MolWeight> (410)
204.22364

>  <Cat> (410)
S5905

>  <Name> (410)
Suberohydroxamic acid

>  <Synonyms> (410)
suberic bishydroxamic acid

>  <Target> (410)
HDAC

>  <Form> (410)
Free Base

>  <CAS> (410)
38937-66-5

>  <URL> (410)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/10082116052D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.2211    4.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    3.4855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    5.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    6.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0115    6.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2247    1.3947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    1.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6500    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
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C7H5NO4

>  <MolWeight> (411)
167.1189

>  <Cat> (411)
S5906

>  <Name> (411)
2,4-Pyridinedicarboxylic acid

>  <Synonyms> (411)
Lutidinic Acid; 2,4-Dicarboxypyridine; 2,4-PDCA

>  <Target> (411)
Others

>  <Form> (411)
Free Base

>  <CAS> (411)
499-80-9

>  <URL> (411)
http://www.selleckchem.com/products/pyridinedicarboxylic-acid.html

$$$$

csChFnd80/10082116052D

 17 18  0  0  0  0  0  0  0  0999 V2000
    4.1775    2.9624    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3899    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    3.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312    1.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.4914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6618    1.2790    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6024    5.7624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1775    5.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8148    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0273    5.7624    0.0000 N   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
  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
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C10H15N3O4

>  <MolWeight> (412)
241.2438

>  <Cat> (412)
S5907

>  <Name> (412)
5-Methyl-2'-deoxycytidine

>  <Synonyms> (412)
5-Methyldeoxycytidine, 5MedCyd

>  <Target> (412)
Others

>  <Form> (412)
Free Base

>  <CAS> (412)
838-07-3

>  <URL> (412)
http://www.selleckchem.com/products/5-methyl-2-deoxycytidine.html

$$$$

csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8480    7.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6392    7.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0641    7.8105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    9.2116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626    9.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    9.2219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8480    5.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325    4.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9872    2.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8626   11.3119    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5488    4.6117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    7.1130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    7.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582    1.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6198    3.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3745    2.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7933    5.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708    2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8128    0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4255    0.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    7.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2103    5.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4965    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7361    0.0000 C   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
  6  2  1  0  0  0  0
 13  2  1  0  0  0  0
  4  3  1  0  0  0  0
 12  3  2  0  0  0  0
  5  4  1  0  0  0  0
 10  5  2  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 11  8  2  0  0  0  0
 14  9  1  0  0  0  0
 18  9  2  0  0  0  0
 15 11  1  0  0  0  0
 17 11  1  0  0  0  0
 19 13  2  0  0  0  0
 20 13  1  0  0  0  0
 21 14  2  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  0  0  0  0
 22 18  1  0  0  0  0
 24 19  1  0  0  0  0
 23 20  2  0  0  0  0
 25 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (413)
413

>  <Formula> (413)
C21H16N2O2S

>  <MolWeight> (413)
360.42894

>  <Cat> (413)
S5913

>  <Name> (413)
Cambinol

>  <Synonyms> (413)
N/A

>  <Target> (413)
TNF-alpha

>  <Form> (413)
Free Base

>  <CAS> (413)
14513-15-6

>  <URL> (413)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7999    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
    1.2124    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2117    4.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2808    2.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6184    3.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1301    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4301    5.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0276    5.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376    4.8771    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
 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
 12 16  1  0  0  0  0
  9 10  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 26  1  0  0  0  0
 17 20  1  0  0  0  0
  4 17  1  0  0  0  0
M  END
>  <Mol_ID> (414)
414

>  <Formula> (414)
C19H21BrN2O3S

>  <MolWeight> (414)
437.35064

>  <Cat> (414)
S5914

>  <Name> (414)
AK 7

>  <Synonyms> (414)
N/A

>  <Target> (414)
Sirtuin

>  <Form> (414)
Free Base

>  <CAS> (414)
420831-40-9

>  <URL> (414)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/10082116052D

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6455    6.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    7.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4339    8.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2172    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168    6.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    7.0079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    4.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    9.1121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8576    8.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4173    3.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6010    4.6015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2524    4.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4222    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1978    0.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4093    2.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8162    3.4503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0456    5.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    1.0023    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
 10 11  1  0  0  0  0
  3 10  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
 12 16  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
 15 20  2  0  0  0  0
 14 17  2  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
 21 26  1  0  0  0  0
 19 21  1  0  0  0  0
 12 27  2  0  0  0  0
 13 28  1  0  0  0  0
 16 29  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (415)
415

>  <Formula> (415)
C22H26N4O3

>  <MolWeight> (415)
394.46684

>  <Cat> (415)
S5916

>  <Name> (415)
GSK 5959

>  <Synonyms> (415)
N/A

>  <Target> (415)
Epigenetic Reader Do

>  <Form> (415)
Free Base

>  <CAS> (415)
901245-65-6

>  <URL> (415)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/10082116052D

 29 33  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
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 16 21  2  0  0  0  0
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 25 26  1  0  0  0  0
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 22 24  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 19 22  1  0  0  0  0
 11 16  1  0  0  0  0
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M  END
>  <Mol_ID> (416)
416

>  <Formula> (416)
C22H23N5O2

>  <MolWeight> (416)
389.45032

>  <Cat> (416)
S5917

>  <Name> (416)
Solcitinib

>  <Synonyms> (416)
GLPG0778, GSK2586184

>  <Target> (416)
JAK

>  <Form> (416)
Free Base

>  <CAS> (416)
1206163-45-2

>  <URL> (416)
http://www.selleckchem.com/products/solcitinib.html

$$$$

csChFnd80/10082116052D

 30 34  0  0  0  0  0  0  0  0999 V2000
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  1 10  2  0  0  0  0
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M  END
>  <Mol_ID> (417)
417

>  <Formula> (417)
C22H15FN4O2S

>  <MolWeight> (417)
418.4435032

>  <Cat> (417)
S5918

>  <Name> (417)
CAY10602

>  <Synonyms> (417)
N/A

>  <Target> (417)
Sirtuin

>  <Form> (417)
Free Base

>  <CAS> (417)
374922-43-7

>  <URL> (417)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
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  3 10  1  0  0  0  0
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M  END
>  <Mol_ID> (418)
418

>  <Formula> (418)
C17H12F3NO4S

>  <MolWeight> (418)
383.3416896

>  <Cat> (418)
S8352

>  <Name> (418)
PT2385

>  <Synonyms> (418)
N/A

>  <Target> (418)
HIF

>  <Form> (418)
Free Base

>  <CAS> (418)
1672665-49-4

>  <URL> (418)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (419)
419

>  <Formula> (419)
C17H13ClNO5P

>  <MolWeight> (419)
377.715581

>  <Cat> (419)
S8409

>  <Name> (419)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (419)
N/A

>  <Target> (419)
Epigenetic Reader Do

>  <Form> (419)
Free Base

>  <CAS> (419)
18228-17-6

>  <URL> (419)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/10082116052D

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    8.0883    6.5380    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  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  9  1  0  0  0  0
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  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  6  1  0  0  0  0
 10 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
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
  1 20  1  1  0  0  0
 19 21  2  0  0  0  0
 15 22  1  0  0  0  0
M  END
>  <Mol_ID> (420)
420

>  <Formula> (420)
C16H15FN4O

>  <MolWeight> (420)
298.3149032

>  <Cat> (420)
S8592

>  <Name> (420)
Pamiparib (BGB-290)

>  <Synonyms> (420)
N/A

>  <Target> (420)
PARP

>  <Form> (420)
Free Base

>  <CAS> (420)
1446261-44-4

>  <URL> (420)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/10082116052D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.1544    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.6326    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
    0.8229    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5480    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3709    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6709    5.0373    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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  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
  7 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 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  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  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
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 12 31  1  0  0  0  0
M  END
>  <Mol_ID> (421)
421

>  <Formula> (421)
C24H18ClN3O3

>  <MolWeight> (421)
431.87102

>  <Cat> (421)
S8654

>  <Name> (421)
ex229 (compound 991)

>  <Synonyms> (421)
N/A

>  <Target> (421)
AMPK

>  <Form> (421)
Free Base

>  <CAS> (421)
1219739-36-2

>  <URL> (421)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/10082116052D

 42 46  0  0  0  0  0  0  0  0999 V2000
    8.4544    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8792    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    4.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8792   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3041    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5166    4.2000    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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 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 10  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  1  0  0  0  0
 13 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
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 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
M  END
>  <Mol_ID> (422)
422

>  <Formula> (422)
C34H48N4O4

>  <MolWeight> (422)
576.76932

>  <Cat> (422)
S8702

>  <Name> (422)
EBI-2511

>  <Synonyms> (422)
N/A

>  <Target> (422)
EZH1/2

>  <Form> (422)
Free Base

>  <CAS> (422)
2098546-05-3

>  <URL> (422)
http://www.selleckchem.com/products/ebi-2511.html

$$$$

csChFnd80/10082116052D

 29 32  0  0  0  0  0  0  0  0999 V2000
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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  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  6 11  2  0  0  0  0
  3 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
 14 18  1  0  0  0  0
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 22 17  1  0  0  0  0
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 21 26  1  0  0  0  0
 18 27  2  0  0  0  0
 18 28  2  0  0  0  0
 18 29  1  0  0  0  0
M  END
>  <Mol_ID> (423)
423

>  <Formula> (423)
C20H21N3O5S

>  <MolWeight> (423)
415.46284

>  <Cat> (423)
S8714

>  <Name> (423)
INCB057643

>  <Synonyms> (423)
N/A

>  <Target> (423)
Epigenetic Reader Do

>  <Form> (423)
Free Base

>  <CAS> (423)
1820889-23-3

>  <URL> (423)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/10082116052D

 36 39  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0  0  0  0
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  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 13 18  1  0  0  0  0
  8 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  8  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 21 27  2  0  0  0  0
 22 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (424)
424

>  <Formula> (424)
C28H30FN3O4

>  <MolWeight> (424)
491.5539032

>  <Cat> (424)
S8723

>  <Name> (424)
ABBV-744

>  <Synonyms> (424)
N/A

>  <Target> (424)
Epigenetic Reader Do

>  <Form> (424)
Free Base

>  <CAS> (424)
2138861-99-9

>  <URL> (424)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/10082116052D

 27 29  0  0  0  0  0  0  0  0999 V2000
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8492    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.7617    3.5000    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  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
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
  8 27  1  0  0  0  0
M  END
>  <Mol_ID> (425)
425

>  <Formula> (425)
C18H18FN5O2S

>  <MolWeight> (425)
387.4312232

>  <Cat> (425)
S8727

>  <Name> (425)
Atuveciclib (BAY-1143572)

>  <Synonyms> (425)
N/A

>  <Target> (425)
CDK

>  <Form> (425)
Free Base

>  <CAS> (425)
1414943-88-6

>  <URL> (425)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/10082116052D

 36 40  0  0  0  0  0  0  0  0999 V2000
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    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  0  0  0  0
  4 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 16  2  0  0  0  0
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 18 13  1  0  0  0  0
 17 19  1  0  0  0  0
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 21 18  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (426)
426

>  <Formula> (426)
C26H26FN7O2

>  <MolWeight> (426)
487.5287432

>  <Cat> (426)
S8741

>  <Name> (426)
Avitinib (AC0010)

>  <Synonyms> (426)
N/A

>  <Target> (426)
EGFR

>  <Form> (426)
Free Base

>  <CAS> (426)
1557267-42-1

>  <URL> (426)
http://www.selleckchem.com/products/avitinib-ac0010.html

$$$$

csChFnd80/10082116052D

 26 30  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
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  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
  9 14  1  0  0  0  0
 14 15  1  0  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (427)
427

>  <Formula> (427)
C22H18N4

>  <MolWeight> (427)
338.40512

>  <Cat> (427)
S8749

>  <Name> (427)
MBQ-167

>  <Synonyms> (427)
N/A

>  <Target> (427)
Rho

>  <Form> (427)
Free Base

>  <CAS> (427)
2097938-73-1

>  <URL> (427)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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 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 12  1  0  0  0  0
 14 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
>  <Mol_ID> (428)
428

>  <Formula> (428)
C16H16N4O2

>  <MolWeight> (428)
296.32384

>  <Cat> (428)
S8763

>  <Name> (428)
ZL0420

>  <Synonyms> (428)
N/A

>  <Target> (428)
Epigenetic Reader Do

>  <Form> (428)
Free Base

>  <CAS> (428)
2229039-45-4

>  <URL> (428)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/10082116052D

 27 31  0  0  0  0  0  0  0  0999 V2000
    4.3587    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3587    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7836    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5711    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2084    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6333    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0582    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3797    1.8904    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
  2  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
 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
 15 18  1  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
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 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26  8  1  0  0  0  0
 25 27  1  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (429)
429

>  <Formula> (429)
C23H32N2O2

>  <MolWeight> (429)
368.51238

>  <Cat> (429)
S8771

>  <Name> (429)
IDF-11774

>  <Synonyms> (429)
N/A

>  <Target> (429)
HIF

>  <Form> (429)
Free Base

>  <CAS> (429)
1429054-28-3

>  <URL> (429)
http://www.selleckchem.com/products/idf-11774.html

$$$$
S9031 Gambogenic acid.cdx
csChFnd80/10082116052D

 46 50  0  0  0  0  0  0  0  0999 V2000
   12.1266    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1266    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9159    5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7052    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3438    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7717    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9824    2.1024    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7912    5.0576    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9824    3.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1996    4.2048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9156    5.5392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9156    6.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2736    8.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2695    7.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6113    6.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0601    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2107    1.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856    9.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0856   10.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2982    8.3714    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  1  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
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
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 14 15  1  0  0  0  0
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 16 18  1  0  0  0  0
 10 19  1  0  0  0  0
  3 20  2  0  0  0  0
  4 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 24  1  0  0  0  0
 24 23  1  0  0  0  0
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  5 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
 23 30  1  0  0  0  0
 30 27  1  0  0  0  0
 23 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 44  1  0  0  0  0
 22 35  1  1  0  0  0
 26 35  1  6  0  0  0
 12 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  5 23  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
M  END
>  <Mol_ID> (430)
430

>  <Formula> (430)
C38H46O8

>  <MolWeight> (430)
630.76704

>  <Cat> (430)
S9031

>  <Name> (430)
Gambogenic acid

>  <Form> (430)
free base

>  <CAS> (430)
173932-75-7

$$$$
S9067 Pseudoprotodioscin.cdx
csChFnd80/10082116052D

 77 85  0  0  0  0  0  0  0  0999 V2000
   14.8030   10.0211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.1185   10.3873    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (431)
431

>  <Formula> (431)
C51H82O21

>  <MolWeight> (431)
1031.18418

>  <Cat> (431)
S9067

>  <Name> (431)
Pseudoprotodioscin

>  <Form> (431)
free base

>  <CAS> (431)
102115-79-7

$$$$
S9080 Anhydroicaritin.cdx
csChFnd80/10082116052D

 27 29  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
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M  END
>  <Mol_ID> (432)
432

>  <Formula> (432)
C21H20O6

>  <MolWeight> (432)
368.3799

>  <Cat> (432)
S9080

>  <Name> (432)
Anhydroicaritin

>  <Form> (432)
free base

>  <CAS> (432)
118525-40-9

$$$$
S9100 Fraxinellone.cdx
csChFnd80/10082116052D

 17 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
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 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
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 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (433)
433

>  <Formula> (433)
C14H16O3

>  <MolWeight> (433)
232.27504

>  <Cat> (433)
S9100

>  <Name> (433)
Fraxinellone

>  <Form> (433)
free base

>  <CAS> (433)
28808-62-0

$$$$

csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.5543    4.1637    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5543    2.7637    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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 10  2  1  0  0  0  0
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 14  6  1  0  0  0  0
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 13 20  1  6  0  0  0
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 16 25  1  0  0  0  0
M  END
>  <Mol_ID> (434)
434

>  <Formula> (434)
C20H28O5

>  <MolWeight> (434)
348.43332

>  <Cat> (434)
S9101

>  <Name> (434)
Ingenol

>  <Form> (434)
free base

>  <CAS> (434)
30220-46-3

$$$$
S9141 Berbamine.cdx
csChFnd80/10082116052D

 45 51  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (435)
435

>  <Formula> (435)
C37H40N2O6

>  <MolWeight> (435)
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>  <Cat> (435)
S9141

>  <Name> (435)
Berbamine

>  <Form> (435)
free base

>  <CAS> (435)
478-61-5

$$$$
S9162 Rubimaillin.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (436)
436

>  <Formula> (436)
C17H16O4

>  <MolWeight> (436)
284.30654

>  <Cat> (436)
S9162

>  <Name> (436)
Rubimaillin

>  <CAS> (436)
55481-88-4

$$$$
S9189 Oroxin A.cdx
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (437)
437

>  <Formula> (437)
C21H20O10

>  <MolWeight> (437)
432.3775

>  <Cat> (437)
S9189

>  <Name> (437)
Oroxin A

>  <Form> (437)
free base

>  <CAS> (437)
57396-78-8

$$$$
S9192 Vitexin.cdx
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (438)
438

>  <Formula> (438)
C21H20O10

>  <MolWeight> (438)
432.3775

>  <Cat> (438)
S9192

>  <Name> (438)
Vitexin

>  <Form> (438)
free base

>  <CAS> (438)
3681-93-4

$$$$
S9204 Oroxylin A.cdx
csChFnd80/10082116052D

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>  <Mol_ID> (439)
439

>  <Formula> (439)
C16H12O5

>  <MolWeight> (439)
284.26348

>  <Cat> (439)
S9204

>  <Name> (439)
Oroxylin A

>  <Form> (439)
free base

>  <CAS> (439)
480-11-5

$$$$
S9230 Vaccarin.cdx
csChFnd80/10082116052D

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    1.2122    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    5.5965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    4.1956    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8421    3.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8421    2.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    1.3941    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2734    2.0944    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2734    3.4953    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4789    1.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    4.1956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9779   11.9001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.9779   10.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1901    9.7989    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.4024   10.4992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4024   11.9001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.1901   12.6004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146   12.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1901    8.3980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7657    9.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6146    9.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8268   11.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21  2  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  1  0  0  0
 23 28  1  1  0  0  0
 24 29  1  6  0  0  0
 26 30  1  6  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 36  1  0  0  0  0
 36 31  1  0  0  0  0
 35 37  1  1  0  0  0
 28 38  1  0  0  0  0
 36 39  1  6  0  0  0
 34 40  1  1  0  0  0
 41 18  1  6  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 46  1  0  0  0  0
 46 41  1  0  0  0  0
 45 47  1  6  0  0  0
 43 48  1  6  0  0  0
 42 49  1  1  0  0  0
 44 50  1  1  0  0  0
 47 51  1  0  0  0  0
M  END
>  <Mol_ID> (440)
440

>  <Formula> (440)
C32H38O19

>  <MolWeight> (440)
726.63272

>  <Cat> (440)
S9230

>  <Name> (440)
Vaccarin

>  <Form> (440)
free base

>  <CAS> (440)
53452-16-7

$$$$
S9275 Isoguanosine.cdx
csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6385    5.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9701    5.2281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6385    7.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4251    4.9603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4023    3.8975    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7930    6.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9710    7.4936    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    7.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121    5.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5757    2.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7082    3.4744    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2112    7.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    9.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960    1.6244    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7082    2.0767    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8307    4.3013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9731    0.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8562    1.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046    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
  5  2  1  1  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  7  2  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  1  0  0  0
 15 16  1  0  0  0  0
 16 19  1  6  0  0  0
 18 20  1  0  0  0  0
M  END
>  <Mol_ID> (441)
441

>  <Formula> (441)
C10H13N5O5

>  <MolWeight> (441)
283.24072

>  <Cat> (441)
S9275

>  <Name> (441)
Isoguanosine

>  <Form> (441)
free base

>  <CAS> (441)
1818-71-9

$$$$
S9307 Shanzhiside methyl ester.cdx
csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  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    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    7.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    9.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4248   11.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123   12.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   10.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0001    7.6996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4250    6.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3869    3.7734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8218    2.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3869    6.0266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9566    7.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5210    6.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042    6.9994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0965    2.8004    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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 13 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  6  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 21 29  1  1  0  0  0
 22 30  1  1  0  0  0
M  END
>  <Mol_ID> (442)
442

>  <Formula> (442)
C17H26O11

>  <MolWeight> (442)
406.38174

>  <Cat> (442)
S9307

>  <Name> (442)
Shanzhiside methyl ester

>  <Form> (442)
free base

>  <CAS> (442)
64421-28-9

$$$$
S5703 Carvedilol Phosphate.cdx
csChFnd80/10082116052D

 36 37  0  0  0  0  0  0  0  0999 V2000
   15.7617    3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.9182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8021    6.2550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2326    7.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8403    7.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0174    8.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5868    9.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9792    9.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8021    8.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0182    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6995    7.4182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.1182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3605    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1605    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0055    1.4159    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  6  4  1  0  0  0  0
  4 14  1  0  0  0  0
  7  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  9  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 17  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
 23 28  2  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  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 32 33  1  0  0  0  0
A   36
?0.5H2O?
M  END
>  <Mol_ID> (443)
443

>  <Formula> (443)
C24H29N2O8PR

>  <MolWeight> (443)
504.469421

>  <Cat> (443)
S5703

>  <Name> (443)
Carvedilol Phosphate

>  <Target> (443)
Others

>  <Form> (443)
free base

>  <CAS> (443)
610309-89-2 

>  <URL> (443)
http://selleckchem.com/products/.html

$$$$
S9046 Berberine.cdx
csChFnd80/10082116052D

 25 29  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    8.3694    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
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 23  1  0  0  0  0
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 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (444)
444

>  <Formula> (444)
C20H18NO4+

>  <MolWeight> (444)
336.36122

>  <Cat> (444)
S9046

>  <Name> (444)
Berberine

>  <Form> (444)
free base

>  <CAS> (444)
2086-83-1

$$$$
S9024 AKBA.cdx
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (445)
445

>  <Formula> (445)
C32H48O5

>  <MolWeight> (445)
512.72052

>  <Cat> (445)
S9024

>  <Name> (445)
AKBA

>  <CAS> (445)
67416-61-9

$$$$
S9379 Dihydrocoumarin.cdx
csChFnd80/10082116052D

 11 12  0  0  0  0  0  0  0  0999 V2000
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    4.8468    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8456    2.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0016    2.0876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0592    0.0002    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
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  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (446)
446

>  <Formula> (446)
C9H8O2

>  <MolWeight> (446)
148.15862

>  <Cat> (446)
S9379

>  <Name> (446)
Dihydrocoumarin

>  <Form> (446)
free base

>  <CAS> (446)
119-84-6

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (447)
447

>  <Formula> (447)
C20H21N3O2

>  <MolWeight> (447)
335.39964

>  <Cat> (447)
S8049

>  <Name> (447)
Tubastatin A

>  <Target> (447)
others

>  <CAS> (447)
1252003-15-8

>  <URL> (447)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/10082116052D

 44 42  0  0  0  0  0  0  0  0999 V2000
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 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40 43  2  0  0  0  0
 40 44  2  0  0  0  0
M  END
>  <Mol_ID> (448)
448

>  <Formula> (448)
C26H52N6O11S

>  <MolWeight> (448)
656.78968

>  <Cat> (448)
S5742

>  <Name> (448)
Deferoxamine mesylate

>  <Synonyms> (448)
desferrioxamine B

>  <Target> (448)
Others

>  <Form> (448)
mesylate

>  <CAS> (448)
138-14-7

>  <URL> (448)
http://www.selleckchem.com/products/deferoxamine-mesylate.html

$$$$

csChFnd80/10082116052D

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.2817    7.7476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5166    8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846    7.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    6.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    6.3537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4447    6.3641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0035    5.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722    5.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8866    0.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0969    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3154    0.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237    2.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1180    2.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8948    2.1106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6465    0.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6599    2.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270    7.9616    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8270    9.3447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2270    6.5786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4115    8.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9308    9.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    3.4287    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.6965    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    4.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4914    3.4287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0939    2.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  3  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
  4  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
  8 12  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
 13 18  1  0  0  0  0
 20 21  2  0  0  0  0
 19 21  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 11 17  1  0  0  0  0
  6  8  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 25 26  1  0  0  0  0
 22 25  1  0  0  0  0
  4 22  1  0  0  0  0
  2  6  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (449)
449

>  <Formula> (449)
C16H20N7O6PS

>  <MolWeight> (449)
469.412061

>  <Cat> (449)
S5754

>  <Name> (449)
Baricitinib phosphate

>  <Synonyms> (449)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (449)
JAK

>  <Form> (449)
phosphate

>  <CAS> (449)
1187595-84-1

>  <URL> (449)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/10082116052D

 10  9  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 S   0  0  3  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
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 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 N   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
    9.6995    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  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  2  0  0  0  0
M  END
>  <Mol_ID> (450)
450

>  <Formula> (450)
C6H11NOS2

>  <MolWeight> (450)
177.28764

>  <Cat> (450)
S5771

>  <Name> (450)
sulforaphane

>  <Synonyms> (450)
N/A

>  <Target> (450)
Nrf2

>  <Form> (450)
Free Base

>  <CAS> (450)
4478-93-7

>  <URL> (450)
http://www.selleckchem.com/products/sulforaphane.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4868    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  9 10  1  0  0  0  0
  1  8  2  0  0  0  0
  1  9  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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 12 21  2  0  0  0  0
 16 21  1  0  0  0  0
 13 22  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
>  <Mol_ID> (451)
451

>  <Formula> (451)
C17H13N3O2

>  <MolWeight> (451)
291.30402

>  <Cat> (451)
S5772

>  <Name> (451)
AS-8351

>  <Synonyms> (451)
N/A

>  <Target> (451)
Histone Demethylase

>  <Form> (451)
Free Base

>  <CAS> (451)
796-42-9

>  <URL> (451)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/10082116052D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.4999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4999    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.4999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  1  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2  8  1  0  0  0  0
M  END
>  <Mol_ID> (452)
452

>  <Formula> (452)
C5H10N2O2S

>  <MolWeight> (452)
162.2101

>  <Cat> (452)
S5804

>  <Name> (452)
N-Acetylcysteine amide

>  <Synonyms> (452)
N/A

>  <Target> (452)
Immunology & Inflamm

>  <Form> (452)
Free Base

>  <CAS> (452)
38520-57-9

>  <URL> (452)
http://www.selleckchem.com/products/n-acetylcysteine-amide.html

$$$$

csChFnd80/10082116052D

 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8976    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732    2.0787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6489    0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    0.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2487    2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4731    2.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    4.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0977    2.0366    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3221    2.7154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5222    1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7466    2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9467    1.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1711    2.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0421    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  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
  9 10  1  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  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
>  <Mol_ID> (453)
453

>  <Formula> (453)
C11H15BrN2O

>  <MolWeight> (453)
271.1536

>  <Cat> (453)
S5810

>  <Name> (453)
UF010

>  <Synonyms> (453)
N/A

>  <Target> (453)
HDAC

>  <Form> (453)
Free Base

>  <CAS> (453)
537672-41-6 

>  <URL> (453)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/10082116052D

 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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    2.8000    0.0000 N   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 14 15  1  0  0  0  0
 11 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
M  END
>  <Mol_ID> (454)
454

>  <Formula> (454)
C15H16N2O2

>  <MolWeight> (454)
256.29974

>  <Cat> (454)
S8773

>  <Name> (454)
TH34

>  <Synonyms> (454)
N/A

>  <Target> (454)
HDAC

>  <Form> (454)
Free Base

>  <CAS> (454)
2196203-96-8

>  <URL> (454)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/10082116052D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2165    4.9071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    4.9047    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9455    0.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (455)
455

>  <Formula> (455)
C18H13F2N3O3S

>  <MolWeight> (455)
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>  <Cat> (455)
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>  <Synonyms> (455)
N/A

>  <Target> (455)
Histone Acetyltransf

>  <Form> (455)
Free Base

>  <CAS> (455)
2055397-28-7

>  <URL> (455)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (456)
456

>  <Formula> (456)
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>  <MolWeight> (456)
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>  <Cat> (456)
S8803

>  <Name> (456)
MK-3903

>  <Synonyms> (456)
N/A

>  <Target> (456)
AMPK

>  <Form> (456)
Free Base

>  <CAS> (456)
1219737-12-8

>  <URL> (456)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/10082116052D

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>  <Formula> (457)
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>  <MolWeight> (457)
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>  <Cat> (457)
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>  <Name> (457)
Crocin I

>  <Synonyms> (457)
N/A

>  <Target> (457)
Others

>  <Form> (457)
Free Base

>  <CAS> (457)
94238-00-3

>  <URL> (457)
http://www.selleckchem.com/products/crocin-i.html

$$$$

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458

>  <Formula> (458)
C10H10O2

>  <MolWeight> (458)
162.1852

>  <Cat> (458)
S6221

>  <Name> (458)
Methyl cinnamate

>  <Synonyms> (458)
N/A

>  <Target> (458)
Others

>  <Form> (458)
free base

>  <CAS> (458)
103-26-4

>  <URL> (458)
http://www.selleck.cn/products/methyl-cinnamate.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (459)
459

>  <Formula> (459)
C38H37ClN8O7S

>  <MolWeight> (459)
785.26778

>  <Cat> (459)
S8296

>  <Name> (459)
dBET1

>  <Synonyms> (459)
N/A

>  <Target> (459)
Epigenetic Reader Do

>  <Form> (459)
free base

>  <CAS> (459)
1799711-21-9

>  <URL> (459)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (460)
460

>  <Formula> (460)
C42H45ClN8O7S

>  <MolWeight> (460)
841.3741

>  <Cat> (460)
S8762

>  <Name> (460)
dBET6

>  <Synonyms> (460)
N/A

>  <Target> (460)
Epigenetic Reader Do

>  <Form> (460)
free base

>  <CAS> (460)
1950634-92-0

>  <URL> (460)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/10082116052D

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  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 12  1  0  0  0  0
 14 16  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 20  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  2  0  0  0  0
M  END
>  <Mol_ID> (461)
461

>  <Formula> (461)
C14H21N5O2S

>  <MolWeight> (461)
323.41384

>  <Cat> (461)
S8765

>  <Name> (461)
PF-04965842

>  <Synonyms> (461)
N/A

>  <Target> (461)
JAK

>  <Form> (461)
free base

>  <CAS> (461)
1622902-68-4

>  <URL> (461)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/10082116052D

  9  9  0  0  0  0  0  0  0  0999 V2000
    2.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    2.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    2.0915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6431    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8744    1.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2211    3.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    4.1930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2064    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
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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
  5  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
>  <Mol_ID> (462)
462

>  <Formula> (462)
C5H7N3O

>  <MolWeight> (462)
125.12858

>  <Cat> (462)
S6021

>  <Name> (462)
5-Methylcytosine

>  <Synonyms> (462)
N/A

>  <Target> (462)
Others

>  <Form> (462)
free base

>  <CAS> (462)
554-01-8

>  <URL> (462)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/10082116052D

 10  8  0  0  0  0  0  0  0  0999 V2000
    2.4249    1.6021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    3.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.7021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    1.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2065    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
  3  5  2  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
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (463)
463

>  <Formula> (463)
C4H11N3O3

>  <MolWeight> (463)
149.14844

>  <Cat> (463)
S6023

>  <Name> (463)
Creatine monohydrate

>  <Synonyms> (463)
Methylguanidoacetic acid monohydrate

>  <Target> (463)
Others

>  <Form> (463)
monohydrate

>  <CAS> (463)
6020-87-7

>  <URL> (463)
http://www.selleck.cn/products/creatine-monohydrate.html

$$$$

csChFnd80/10082116052D

 27 30  0  0  0  0  0  0  0  0999 V2000
    2.4165    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7927    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2662    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.8927    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
    8.4786    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0179    1.0772    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
  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
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
>  <Mol_ID> (464)
464

>  <Formula> (464)
C21H19ClNO4+

>  <MolWeight> (464)
384.83286

>  <Cat> (464)
S1292

>  <Name> (464)
Chelerythrine Chloride

>  <Synonyms> (464)
N/A

>  <Target> (464)
PKC

>  <Form> (464)
Chloride

>  <CAS> (464)
3895-92-9

>  <URL> (464)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8000    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
    7.2662    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.1000    0.0000 N   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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8993    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  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 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  3 15  1  0  0  0  0
  7 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (465)
465

>  <Formula> (465)
C18H20FN3O4

>  <MolWeight> (465)
361.3675032

>  <Cat> (465)
S1463

>  <Name> (465)
Ofloxacin

>  <Synonyms> (465)
DL8280

>  <Target> (465)
Topoisomerase

>  <Form> (465)
Free Base

>  <CAS> (465)
82419-36-1

>  <URL> (465)
http://www.selleck.cn/products/Ofloxacin(Floxin).html

$$$$

csChFnd80/10082116052D

 28 32  0  0  0  0  0  0  0  0999 V2000
    1.7741    2.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    0.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882    0.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9930    2.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9930    4.2019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2200    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2820    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 14 13  1  6  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 14  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
  4 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  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  0  0  0  0
 11 27  1  0  0  0  0
 27 28  1  0  0  0  0
  9 28  1  0  0  0  0
M  END
>  <Mol_ID> (466)
466

>  <Formula> (466)
C18H21F2N7O

>  <MolWeight> (466)
389.4024464

>  <Cat> (466)
S8804

>  <Name> (466)
PF-06700841

>  <Synonyms> (466)
PF-841

>  <Target> (466)
JAK

>  <Form> (466)
Free Base

>  <CAS> (466)
1883299-62-4

>  <URL> (466)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/10082116052D

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    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
   14.5492    7.7000    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
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    4.2000    0.0000 O   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
   14.5492    2.1000    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
   15.7617    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0793    2.1365    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
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
 13 15  1  0  0  0  0
 12 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
 19 21  2  0  0  0  0
 20 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 20  1  0  0  0  0
 24 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
 15 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 15  1  0  0  0  0
 35 36  1  0  0  0  0
 33 37  1  0  0  0  0
 22 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 42  1  0  0  0  0
M  END
>  <Mol_ID> (467)
467

>  <Formula> (467)
C33H31Cl2N3O5

>  <MolWeight> (467)
620.52234

>  <Cat> (467)
S8846

>  <Name> (467)
compound 3i (666-15)

>  <Synonyms> (467)
N/A

>  <Target> (467)
Epigenetic Reader Do

>  <Form> (467)
Free Base

>  <CAS> (467)
1433286-70-4

>  <URL> (467)
http://www.selleck.cn/products/compound-3i.html

$$$$

csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8860    2.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6791    1.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6557    4.2123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0014    2.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  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  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 11  2  0  0  0  0
  9 13  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (468)
468

>  <Formula> (468)
C15H8O6

>  <MolWeight> (468)
284.22042

>  <Cat> (468)
S2400

>  <Name> (468)
Rheic Acid

>  <Synonyms> (468)
Rhein, Monorhein, NSC 38629, Rheinic Acid

>  <Target> (468)
Immunology & Inflamm

>  <Form> (468)
Free Base

>  <CAS> (468)
478-43-3

>  <URL> (468)
http://www.selleck.cn/products/Rhein-Monorhein.html

$$$$

csChFnd80/10082116052D

 31 35  0  0  0  0  0  0  0  0999 V2000
    3.4240    4.4234    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
    4.6364    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6364    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    2.3234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    3.0234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2737    4.4234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0613    5.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3141    5.3602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7447    6.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 10  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
M  END
>  <Mol_ID> (469)
469

>  <Formula> (469)
C23H21N5O3

>  <MolWeight> (469)
415.44454

>  <Cat> (469)
S2780

>  <Name> (469)
I-BET151 (GSK1210151A)

>  <Synonyms> (469)
N/A

>  <Target> (469)
Epigenetic Reader Do

>  <Form> (469)
Free Base

>  <CAS> (469)
1300031-49-5

>  <URL> (469)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9000    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
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (470)
470

>  <Formula> (470)
C20H22ClN3O

>  <MolWeight> (470)
355.86118

>  <Cat> (470)
S5948

>  <Name> (470)
Amodiaquine

>  <Synonyms> (470)
N/A

>  <Target> (470)
Anti-infection

>  <Form> (470)
Free Base

>  <CAS> (470)
86-42-0

>  <URL> (470)
http://www.selleck.cn/products/amodiaquine.html

$$$$

csChFnd80/10082116052D

 13 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  1  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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  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
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  5  9  1  0  0  0  0
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  9 12  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
>  <Mol_ID> (471)
471

>  <Formula> (471)
C6H13NO5

>  <MolWeight> (471)
179.17112

>  <Cat> (471)
S6400

>  <Name> (471)
Glucosamine

>  <Synonyms> (471)
2-amino-2-deoxy-D-glucose

>  <Target> (471)
Others

>  <Form> (471)
Free Base

>  <CAS> (471)
3416-24-8

>  <URL> (471)
http://www.selleck.cn/products/glucosamine.html

$$$$

csChFnd80/10082116052D

 27 30  0  0  0  0  0  0  0  0999 V2000
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    4.5080    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938    3.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <URL> (473)
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M  END
>  <Mol_ID> (476)
476

>  <Formula> (476)
C19H18N4O3

>  <MolWeight> (476)
350.37122

>  <Cat> (476)
S8684

>  <Name> (476)
Selective JAK3 inhibitor 1

>  <Synonyms> (476)
N/A

>  <Target> (476)
JAK

>  <Form> (476)
Free Base

>  <CAS> (476)
1443235-95-7

>  <URL> (476)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/10082116052D

 33 37  0  0  0  0  0  0  0  0999 V2000
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  1 10  1  0  0  0  0
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 11 12  1  1  0  0  0
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 18 13  1  0  0  0  0
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 19 20  2  0  0  0  0
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 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  2  0  0  0  0
 25 27  1  0  0  0  0
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M  END
>  <Mol_ID> (477)
477

>  <Formula> (477)
C26H22N4O3

>  <MolWeight> (477)
438.47788

>  <Cat> (477)
S8739

>  <Name> (477)
PLX51107

>  <Synonyms> (477)
N/A

>  <Target> (477)
Epigenetic Reader Do

>  <Form> (477)
Free Base

>  <CAS> (477)
1627929-55-8

>  <URL> (477)
http://www.selleck.cn/products/plx51107.html

$$$$

csChFnd80/10082116052D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 12  7  1  0  0  0  0
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M  END
>  <Mol_ID> (478)
478

>  <Formula> (478)
C19H16N4O3

>  <MolWeight> (478)
348.35534

>  <Cat> (478)
S8753

>  <Name> (478)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (478)
N/A

>  <Target> (478)
Epigenetic Reader Do

>  <Form> (478)
Free Base

>  <CAS> (478)
1628607-64-6

>  <URL> (478)
http://www.selleck.cn/products/incb054329.html

$$$$

csChFnd80/10082116052D

 27 28  0  0  0  0  0  0  0  0999 V2000
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  4  7  1  0  0  0  0
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M  END
>  <Mol_ID> (479)
479

>  <Formula> (479)
C19H28Cl2N4O2

>  <MolWeight> (479)
415.35722

>  <Cat> (479)
S8769

>  <Name> (479)
Tinostamustine(EDO-S101)

>  <Synonyms> (479)
N/A

>  <Target> (479)
HDAC

>  <Form> (479)
Free Base

>  <CAS> (479)
1236199-60-2

>  <URL> (479)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (480)
480

>  <Formula> (480)
C14H14ClFN8

>  <MolWeight> (480)
348.7659632

>  <Cat> (480)
S2162

>  <Name> (480)
AZD1480

>  <Synonyms> (480)
N/A

>  <Target> (480)
JAK

>  <Form> (480)
free base

>  <CAS> (480)
935666-88-9

>  <URL> (480)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/10082116052D

 18 19  0  0  0  0  0  0  0  0999 V2000
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   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2678    2.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8438    1.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0516    3.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587    0.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    3.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8400    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8863    1.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  2  0  0  0  0
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  8 14  1  0  0  0  0
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 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
M  END
>  <Mol_ID> (481)
481

>  <Formula> (481)
C13H13NO3S

>  <MolWeight> (481)
263.31222

>  <Cat> (481)
S6497

>  <Name> (481)
SMI-16a

>  <Synonyms> (481)
N/A

>  <Target> (481)
Pim

>  <Form> (481)
free base

>  <CAS> (481)
587852-28-6

>  <URL> (481)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
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  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
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 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 16 20  2  0  0  0  0
 19 21  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (482)
482

>  <Formula> (482)
C16H15N3O2

>  <MolWeight> (482)
281.3092

>  <Cat> (482)
S6521

>  <Name> (482)
WHI-P258

>  <Synonyms> (482)
N/A

>  <Target> (482)
JAK

>  <Form> (482)
free base

>  <CAS> (482)
21561-09-1

>  <URL> (482)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.6552    6.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0801    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2926    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6552    8.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
  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
  8 13  2  0  0  0  0
  7  8  1  0  0  0  0
  2  6  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
  4 14  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
  1 20  1  0  0  0  0
  2 26  1  0  0  0  0
M  END
>  <Mol_ID> (483)
483

>  <Formula> (483)
C23H24N2O

>  <MolWeight> (483)
344.44946

>  <Cat> (483)
S6524

>  <Name> (483)
NSC 42834

>  <Synonyms> (483)
JAK2 Inhibitor V

>  <Target> (483)
JAK

>  <Form> (483)
free base

>  <CAS> (483)
195371-52-9

>  <URL> (483)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/10082116052D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 32  1  0  0  0  0
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  4 10  1  0  0  0  0
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  6 32  1  0  0  0  0
  7 19  1  0  0  0  0
  7 21  1  0  0  0  0
  8 20  1  0  0  0  0
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 10 22  1  0  0  0  0
 11 23  2  0  0  0  0
 11 24  1  0  0  0  0
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 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
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 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 21 22  1  0  0  0  0
 22 24  2  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
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
>  <Mol_ID> (484)
484

>  <Formula> (484)
C20H25F3N6O3

>  <MolWeight> (484)
454.4461096

>  <Cat> (484)
S6577

>  <Name> (484)
PKC-theta inhibitor

>  <Synonyms> (484)
N/A

>  <Target> (484)
PKC

>  <Form> (484)
free base

>  <CAS> (484)
736048-65-0

>  <URL> (484)
http://www.selleck.cn/products/pkc-theta-inhibitor.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.8531    3.3124    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  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  9  1  0  0  0  0
 15  4  1  1  0  0  0
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 17 15  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
>  <Mol_ID> (485)
485

>  <Formula> (485)
C18H23ClN4O

>  <MolWeight> (485)
346.85442

>  <Cat> (485)
S8438

>  <Name> (485)
T-3775440 HCl

>  <Synonyms> (485)
N/A

>  <Target> (485)
Histone Demethylase

>  <Form> (485)
HCl

>  <CAS> (485)
1422535-52-1

>  <URL> (485)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/10082116052D

 29 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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 10  5  1  0  0  0  0
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486

>  <Formula> (486)
C21H24N4O4

>  <MolWeight> (486)
396.43966

>  <Cat> (486)
S8743

>  <Name> (486)
SKLB-23bb

>  <Synonyms> (486)
N/A

>  <Target> (486)
HDAC

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free base

>  <CAS> (486)
1815580-06-3

>  <URL> (486)
http://www.selleck.cn/products/sklb-23bb.html

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csChFnd80/10082116052D

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487

>  <Formula> (487)
C14H11ClN2O4

>  <MolWeight> (487)
306.70114

>  <Cat> (487)
S6490

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>  <Synonyms> (487)
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>  <Target> (487)
HIF

>  <Form> (487)
Free Base

>  <CAS> (487)
1000025-07-9

>  <URL> (487)
http://www.selleck.cn/products/vadadustat.html

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 27 29  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (488)
488

>  <Formula> (488)
C20H17FN2O3S

>  <MolWeight> (488)
384.4239832

>  <Cat> (488)
S6655

>  <Name> (488)
WM-8014

>  <Synonyms> (488)
N/A

>  <Target> (488)
Histone Acetyltransf

>  <Form> (488)
Free Base

>  <CAS> (488)
2055397-18-5

>  <URL> (488)
http://www.selleck.cn/products/wm-8014.html

$$$$

csChFnd80/10082116052D

 34 37  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (489)
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>  <Formula> (489)
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>  <MolWeight> (489)
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>  <Cat> (489)
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>  <Name> (489)
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>  <Synonyms> (489)
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>  <Target> (489)
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>  <Form> (489)
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>  <CAS> (489)
1874276-76-2

>  <URL> (489)
http://www.selleck.cn/products/lxs-196.html

$$$$

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    9.5816    9.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8194   10.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3079   11.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2038    9.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0766   10.9418    0.0000 C   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
    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  1  0  0  0  0  0  0  0  0  0
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    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    8.4000    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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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 11  5  1  0  0  0  0
 10 12  1  0  0  0  0
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 14 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
  1 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
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 31 32  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (495)
495

>  <Formula> (495)
C27H36N2O5

>  <MolWeight> (495)
468.58514

>  <Cat> (495)
S6758

>  <Name> (495)
I-CBP112

>  <Synonyms> (495)
N/A

>  <Target> (495)
Epigenetic Reader Do

>  <Form> (495)
Free Base

>  <CAS> (495)
1640282-31-0

>  <URL> (495)
http://www.selleck.cn/products/i-cbp112.html

$$$$

csChFnd80/10082116052D

 28 30  0  0  0  0  0  0  0  0999 V2000
   10.8918    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8918    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6793    6.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4668    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6793    9.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    6.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    6.9883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2584    4.8953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8918    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1000    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3084    6.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2084    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4166    6.2907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 23 24  1  0  0  0  0
 26 27  1  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
  7  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 15  1  0  0  0  0
 15 10  2  0  0  0  0
 11 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
  2 23  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (496)
496

>  <Formula> (496)
C21H25N3O4

>  <MolWeight> (496)
383.4409

>  <Cat> (496)
S2184

>  <Name> (496)
WDR5-0103

>  <Synonyms> (496)
WD-Repeat Protein 5-0103

>  <Target> (496)
Histone Methyltransferase

>  <Form> (496)
Free Base

>  <CAS> (496)
890190-22-4

>  <URL> (496)
http://www.selleck.cn/products/wdr5-0103.html

$$$$

csChFnd80/10082116052D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8498    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5497    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9745    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3996    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6119    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8245    1.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    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  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  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
  1 19  1  0  0  0  0
  3 20  1  6  0  0  0
  2 21  1  1  0  0  0
M  END
>  <Mol_ID> (497)
497

>  <Formula> (497)
C18H37NO2

>  <MolWeight> (497)
299.49188

>  <Cat> (497)
S2210

>  <Name> (497)
Sphingosine

>  <Synonyms> (497)
2-amino-4-trans-octadecene-1,3-diol,C18 Sphingosine

>  <Target> (497)
Others

>  <Form> (497)
Free Base

>  <CAS> (497)
123-78-4

>  <URL> (497)
http://www.selleck.cn/products/sphingosine.html

$$$$

csChFnd80/10082116052D

 19 19  0  0  0  0  0  0  0  0999 V2000
    6.8543    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0698    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0644    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8512    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6395    0.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6414    2.1019    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.2914    2.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2914    4.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4948    2.1025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1498    2.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    2.8019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2845    4.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9154    4.4876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2142    3.2760    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  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
 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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 12 18  1  1  0  0  0
 11  6  1  6  0  0  0
M  END
>  <Mol_ID> (498)
498

>  <Formula> (498)
C11H15ClN2O5

>  <MolWeight> (498)
290.7002

>  <Cat> (498)
S2935

>  <Name> (498)
Nicotinamide Riboside Chloride

>  <Synonyms> (498)
N/A

>  <Target> (498)
Others

>  <Form> (498)
Chloride

>  <CAS> (498)
23111-00-4

>  <URL> (498)
http://www.selleck.cn/products/nicotinamide-riboside-chloride.html

$$$$

csChFnd80/10082116052D

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1326    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9202    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7077    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4953    1.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4331    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  2  0  0  0  0
 11 12  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
 19 24  1  0  0  0  0
  9 18  1  0  0  0  0
M  END
>  <Mol_ID> (499)
499

>  <Formula> (499)
C19H23N3O2

>  <MolWeight> (499)
325.40482

>  <Cat> (499)
S6548

>  <Name> (499)
NKL 22

>  <Synonyms> (499)
N/A

>  <Target> (499)
HDAC

>  <Form> (499)
Free Base

>  <CAS> (499)
537034-15-4

>  <URL> (499)
http://www.selleck.cn/products/nkl-22.html

$$$$

csChFnd80/10082116052D

 25 25  0  0  0  0  0  0  0  0999 V2000
    0.9400    2.2606    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358    3.7892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607    2.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6482    1.6892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5601    2.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (500)
500

>  <Formula> (500)
C21H38N2OS

>  <MolWeight> (500)
366.60422

>  <Cat> (500)
S6687

>  <Name> (500)
SIS17

>  <Synonyms> (500)
N/A

>  <Target> (500)
HDAC

>  <Form> (500)
Free Base

>  <CAS> (500)
2374313-54-7

>  <URL> (500)
http://www.selleck.cn/products/sis17.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (501)
501

>  <Formula> (501)
C28H38N4O3

>  <MolWeight> (501)
478.62632

>  <Cat> (501)
S8812

>  <Name> (501)
CM272(CM-272)

>  <Synonyms> (501)
N/A

>  <Target> (501)
DNA Methyltransferase

>  <Form> (501)
Free Base

>  <CAS> (501)
1846570-31-7

>  <URL> (501)
http://www.selleck.cn/products/cm272-cm-272.html

$$$$

csChFnd80/10082116052D

 19 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (502)
502

>  <Formula> (502)
C16H13N3

>  <MolWeight> (502)
247.29452

>  <Cat> (502)
S8909

>  <Name> (502)
UBCS039

>  <Synonyms> (502)
N/A

>  <Target> (502)
Sirtuin

>  <Form> (502)
Free Base

>  <CAS> (502)
358721-70-7

>  <URL> (502)
http://www.selleck.cn/products/ubcs039.html

$$$$

csChFnd80/10082116052D

 51 56  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (503)
503

>  <Formula> (503)
C33H40O18

>  <MolWeight> (503)
724.6599

>  <Cat> (503)
S9096

>  <Name> (503)
ligustroflavone

>  <Synonyms> (503)
Nuezhenoside

>  <Target> (503)
AMPK

>  <Form> (503)
Free Base

>  <CAS> (503)
260413-62-5

>  <URL> (503)
http://www.selleck.cn/products/ligustroflavone.html

$$$$

csChFnd80/10082116052D

 60 66  0  0  0  0  0  0  0  0999 V2000
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504

>  <Formula> (504)
C42H66O14

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794.96504

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S9116

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Chikusetsusaponin Iva

>  <Synonyms> (504)
Calenduloside F

>  <Target> (504)
Immunology & Inflammation related

>  <Form> (504)
Free Base

>  <CAS> (504)
51415-02-2

>  <URL> (504)
http://www.selleck.cn/products/chikusetsusaponin-iva.html

$$$$

csChFnd80/10082116052D

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S2213

>  <Name> (505)
AMG-47a

>  <Synonyms> (505)
N/A

>  <Target> (505)
Src

>  <Form> (505)
Free Base

>  <CAS> (505)
882663-88-9

>  <URL> (505)
http://www.selleck.cn/products/.html

$$$$

csChFnd80/10082116052D

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506

>  <Formula> (506)
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>  <MolWeight> (506)
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>  <Cat> (506)
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>  <Name> (506)
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>  <Synonyms> (506)
N/A

>  <Target> (506)
HIF

>  <Form> (506)
Free Base

>  <CAS> (506)
1154097-71-8

>  <URL> (506)
http://www.selleck.cn/products/iox4.html

$$$$

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    2.3411    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    5.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2852    2.9409    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2938    5.7409    0.0000 N   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
  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
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  1  0  0  0
  7  8  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  2  0  0  0  0
 11 15  1  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (507)
507

>  <Formula> (507)
C9H12FN3O4

>  <MolWeight> (507)
245.2076832

>  <Cat> (507)
S2477

>  <Name> (507)
2'-Deoxy-5-Fluorocytidine

>  <Synonyms> (507)
5-fluoro-2(')-deoxycytidine, FCdR

>  <Target> (507)
DNA Methyltransferas

>  <Form> (507)
Free Base

>  <CAS> (507)
10356-76-0

>  <URL> (507)
http://www.selleckchem.com/products/2-feoxy-5-fluorocytidine.html

$$$$

csChFnd80/10082116052D

 65 70  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (508)
508

>  <Formula> (508)
C46H51F3N6O8S2

>  <MolWeight> (508)
937.0577496

>  <Cat> (508)
S8953

>  <Name> (508)
ASP4132

>  <Synonyms> (508)
N/A

>  <Target> (508)
AMPK

>  <Form> (508)
Free Base

>  <CAS> (508)
1640294-30-9

>  <URL> (508)
http://www.selleckchem.com/products/asp4132.html

$$$$

csChFnd80/10082116052D

 33 38  0  0  0  0  0  0  0  0999 V2000
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    0.0000    1.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (509)
509

>  <Formula> (509)
C26H23N5O2

>  <MolWeight> (509)
437.49312

>  <Cat> (509)
S8961

>  <Name> (509)
Alobresib (GS-5829)

>  <Synonyms> (509)
N/A

>  <Target> (509)
Epigenetic Reader Do

>  <Form> (509)
Free Base

>  <CAS> (509)
1637771-14-2

>  <URL> (509)
http://www.selleckchem.com/products/alobresib.html

$$$$

csChFnd80/10082116052D

 21 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (510)
510

>  <Formula> (510)
C15H14FN3O2

>  <MolWeight> (510)
287.2889632

>  <Cat> (510)
S8962

>  <Name> (510)
BRD3308

>  <Synonyms> (510)
N/A

>  <Target> (510)
HDAC

>  <Form> (510)
Free Base

>  <CAS> (510)
1550053-02-5

>  <URL> (510)
http://www.selleckchem.com/products/brd3308.html

$$$$

csChFnd80/10082116052D

 30 33  0  0  0  0  0  0  0  0999 V2000
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1361951-15-6

>  <URL> (511)
http://www.selleckchem.com/products/tp-3654.html

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csChFnd80/10082116052D

 30 34  0  0  0  0  0  0  0  0999 V2000
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N/A

>  <Target> (512)
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>  <Form> (512)
Free Base

>  <CAS> (512)
2171386-10-8

>  <URL> (512)
http://www.selleckchem.com/products/pk-287107.html

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csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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>  <MolWeight> (513)
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>  <Synonyms> (513)
N/A

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PRMT

>  <Form> (513)
Free Base

>  <CAS> (513)
1624117-53-8

>  <URL> (513)
http://www.selleckchem.com/products/xy1.html

$$$$

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>  <Target> (514)
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>  <URL> (514)
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
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 16 17  1  0  0  0  0
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 16 21  2  0  0  0  0
 17 22  1  0  0  0  0
 20 23  1  0  0  0  0
  5 16  1  0  0  0  0
M  END
>  <Mol_ID> (515)
515

>  <Formula> (515)
C18H11BrN2O2

>  <MolWeight> (515)
367.19614

>  <Cat> (515)
S1050

>  <Name> (515)
TCS PIM-1 1 

>  <Synonyms> (515)
SC 204330

>  <Target> (515)
Pim

>  <Form> (515)
Free Base

>  <CAS> (515)
491871-58-0

>  <URL> (515)
http://www.selleckchem.com/products/tcs-pim-1-1.html

$$$$

csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
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  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  5 22  2  0  0  0  0
  6 25  1  0  0  0  0
  7 11  1  0  0  0  0
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  8 13  1  0  0  0  0
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  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 23  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
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 26 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (516)
516

>  <Formula> (516)
C20H23ClN4O4S

>  <MolWeight> (516)
450.93902

>  <Cat> (516)
S6722

>  <Name> (516)
Seclidemstat

>  <Synonyms> (516)
SP-2577 mesylate

>  <Target> (516)
LSD1

>  <Form> (516)
Free Base

>  <CAS> (516)
1423715-37-0

>  <URL> (516)
http://www.selleckchem.com/products/seclidemstat.html

$$$$

csChFnd80/10082116052D

 20 21  0  0  0  0  0  0  0  0999 V2000
   13.3358    1.3974    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  1  0  0  0  0
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 18 20  2  0  0  0  0
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M  END
>  <Mol_ID> (517)
517

>  <Formula> (517)
C14H18BrN3O2

>  <MolWeight> (517)
340.21562

>  <Cat> (517)
S6833

>  <Name> (517)
BCI-121

>  <Synonyms> (517)
N/A

>  <Target> (517)
SMYD

>  <Form> (517)
Free Base

>  <CAS> (517)
432529-82-3

>  <URL> (517)
http://www.selleckchem.com/products/bcl-121.html

$$$$

csChFnd80/10082116052D

 38 41  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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 31 38  1  0  0  0  0
M  END
>  <Mol_ID> (518)
518

>  <Formula> (518)
C30H28O8

>  <MolWeight> (518)
516.53852

>  <Cat> (518)
S7862

>  <Name> (518)
Rottlerin

>  <Synonyms> (518)
Mallotoxin, NSC 56346, NSC 94525

>  <Target> (518)
PKC

>  <Form> (518)
Free Base

>  <CAS> (518)
82-08-6

>  <URL> (518)
http://www.selleckchem.com/products/rottlerin.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (519)
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>  <Formula> (519)
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>  <MolWeight> (519)
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>  <Synonyms> (519)
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>  <Target> (519)
PRMT

>  <Form> (519)
Free Base

>  <CAS> (519)
2040291-27-6

>  <URL> (519)
http://www.selleckchem.com/products/lly-283.html

$$$$

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>  <Mol_ID> (520)
520

>  <Formula> (520)
C49H60ClN9O8S2

>  <MolWeight> (520)
1002.6392

>  <Cat> (520)
S8889

>  <Name> (520)
MZ 1( MZ-1)

>  <Synonyms> (520)
N/A

>  <Target> (520)
Epigenetic Reader Do

>  <Form> (520)
Free Base

>  <CAS> (520)
1797406-69-9

>  <URL> (520)
http://www.selleckchem.com/products/mz-1.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (521)
521

>  <Formula> (521)
C20H22ClF3N2O3

>  <MolWeight> (521)
430.8484896

>  <Cat> (521)
S0022

>  <Name> (521)
YF-2

>  <Target> (521)
Histone Acetyltransf

>  <Form> (521)
free base

>  <CAS> (521)
1311423-89-8

>  <URL> (521)
http://www.selleckchem.com/products/yf-2.html

$$$$

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 23 24  1  0  0  0  0
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 26 31  1  0  0  0  0
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 31 41  1  0  0  0  0
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 46 48  2  0  0  0  0
 47 49  2  0  0  0  0
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M  END
>  <Mol_ID> (522)
522

>  <Formula> (522)
C34H31ClN8O5S

>  <MolWeight> (522)
699.17854

>  <Cat> (522)
S0137

>  <Name> (522)
dBET57

>  <Target> (522)
Epigenetic Reader Do

>  <Form> (522)
free base

>  <CAS> (522)
1883863-52-2

>  <URL> (522)
http://www.selleckchem.com/products/dbet57.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  6  7  1  0  0  0  0
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  7  8  1  0  0  0  0
  8 11  2  0  0  0  0
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 10 13  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
 15 19  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (523)
523

>  <Formula> (523)
C17H13ClN4

>  <MolWeight> (523)
308.76492

>  <Cat> (523)
S0201

>  <Name> (523)
Z-JIB-04 (NSC 693627)

>  <Target> (523)
Histone Demethylase

>  <Form> (523)
free base

>  <CAS> (523)
199596-24-2

>  <URL> (523)
http://www.selleckchem.com/products/z-jib-04-nsc-693627.html

$$$$

csChFnd80/10082116052D

 32 34  0  0  0  0  0  0  0  0999 V2000
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  2  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
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 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
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 22 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
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 27 31  2  0  0  0  0
 27 32  1  0  0  0  0
M  END
>  <Mol_ID> (524)
524

>  <Formula> (524)
C22H22F3N3O4

>  <MolWeight> (524)
449.4229896

>  <Cat> (524)
S0709

>  <Name> (524)
Tubastatin A TFA

>  <Target> (524)
HDAC

>  <Form> (524)
trifluoroacetate

>  <CAS> (524)
1239262-52-2

>  <URL> (524)
http://www.selleckchem.com/products/tubastatin-a-tfa.html

$$$$

csChFnd80/10082116052D

 23 24  0  0  0  0  0  0  0  0999 V2000
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  2  7  2  0  0  0  0
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  1  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 12  1  0  0  0  0
  5 10  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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 20 23  1  0  0  0  0
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M  END
>  <Mol_ID> (525)
525

>  <Formula> (525)
C18H21N3OS

>  <MolWeight> (525)
327.44384

>  <Cat> (525)
S2176

>  <Name> (525)
Tenovin-3

>  <Target> (525)
Sirtuin

>  <Form> (525)
free base

>  <CAS> (525)
1011301-27-1

>  <URL> (525)
http://www.selleckchem.com/products/tenovin-3.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 21 24  2  0  0  0  0
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M  END
>  <Mol_ID> (526)
526

>  <Formula> (526)
C16H18O9

>  <MolWeight> (526)
354.30872

>  <Cat> (526)
S3262

>  <Name> (526)
Scopolin

>  <Target> (526)
Sirtuin

>  <Form> (526)
free base

>  <CAS> (526)
531-44-2

>  <URL> (526)
http://www.selleckchem.com/products/scopolin.html

$$$$

csChFnd80/10082116052D

 42 46  0  0  0  0  0  0  0  0999 V2000
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    3.6331   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 O   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    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0538    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   11.1879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6911   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786   13.2879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662   12.5879    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8993   13.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786   14.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580   13.2854    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  1  0  0  0
  1  8  1  1  0  0  0
  3  9  1  1  0  0  0
  6 10  1  6  0  0  0
  2 11  1  6  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  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 15 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 16  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 13 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
 28 31  1  0  0  0  0
  7 32  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 36 39  1  1  0  0  0
 33 32  1  1  0  0  0
 35 40  1  6  0  0  0
 37 41  1  6  0  0  0
 38 42  1  6  0  0  0
M  END
>  <Mol_ID> (527)
527

>  <Formula> (527)
C27H30O15

>  <MolWeight> (527)
594.5181

>  <Cat> (527)
S3267

>  <Name> (527)
Kaempferol-3-O-rutinoside

>  <Target> (527)
Apoptosis related

>  <Form> (527)
free base

>  <CAS> (527)
17650-84-9

>  <URL> (527)
http://www.selleckchem.com/products/kaempferol-3-o-rutinoside.html

$$$$

csChFnd80/10082116052D

 38 45  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4951    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
    7.2704    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4207    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2704    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    9.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    5.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    9.7903    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  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 10  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  6  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 16 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 15 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 21 29  1  0  0  0  0
 28 30  1  0  0  0  0
 26 31  1  0  0  0  0
 13 32  1  0  0  0  0
 11 33  1  0  0  0  0
  3 34  1  0  0  0  0
  1 35  1  0  0  0  0
 23 36  1  0  0  0  0
  7 37  2  0  0  0  0
 25 38  2  0  0  0  0
M  END
>  <Mol_ID> (528)
528

>  <Formula> (528)
C30H16O8

>  <MolWeight> (528)
504.44324

>  <Cat> (528)
S3273

>  <Name> (528)
Hypericin

>  <Target> (528)
MAO

>  <Form> (528)
free base

>  <CAS> (528)
548-04-9

>  <URL> (528)
http://www.selleckchem.com/products/hypericin.html

$$$$

csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.3666    2.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8528    7.0576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8821    0.0000 O   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
    7.3666    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0792    9.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7295    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    2.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.8968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    4.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5789    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2097    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5789    4.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1541    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1541    6.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3441    8.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6013    9.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8640    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0053    4.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 20  1  0  0  0  0
  3 15  1  0  0  0  0
  3 25  1  0  0  0  0
  4 17  1  0  0  0  0
  4 26  1  0  0  0  0
  5 18  1  0  0  0  0
  6 20  2  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  2  0  0  0  0
 10 11  2  0  0  0  0
 11 20  1  0  0  0  0
 12 17  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (529)
529

>  <Formula> (529)
C19H12O7

>  <MolWeight> (529)
352.29438

>  <Cat> (529)
S3289

>  <Name> (529)
Daphnoretin

>  <Target> (529)
PKC

>  <Form> (529)
free base

>  <CAS> (529)
2034-69-7

>  <URL> (529)
http://www.selleckchem.com/products/daphnoretin.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    1.2082    0.0000 C   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
    5.5903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7903    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4903    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3903    4.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    6.0538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8854    3.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8754    4.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3878    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  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 12  2  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <Mol_ID> (530)
530

>  <Formula> (530)
C16H12O6

>  <MolWeight> (530)
300.26288

>  <Cat> (530)
S3296

>  <Name> (530)
Hispidulin

>  <Target> (530)
Pim

>  <Form> (530)
free base

>  <CAS> (530)
1447-88-7

>  <URL> (530)
http://www.selleckchem.com/products/hispidulin.html

$$$$

csChFnd80/10082116052D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.4951    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    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2951    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    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
    3.6373    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    8.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   10.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166   10.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084    9.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291   12.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3976    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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  1  0  0  0  0
 10  1  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
 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
  4 23  1  0  0  0  0
  3 24  1  0  0  0  0
M  END
>  <Mol_ID> (531)
531

>  <Formula> (531)
C19H18NO4+

>  <MolWeight> (531)
324.35052

>  <Cat> (531)
S3299

>  <Name> (531)
Demethyleneberberine

>  <Target> (531)
Peroxidases

>  <Form> (531)
free base

>  <CAS> (531)
25459-91-0

>  <URL> (531)
http://www.selleckchem.com/products/demethyleneberberine.html

$$$$

csChFnd80/10082116052D

 36 40  0  0  0  0  0  0  0  0999 V2000
    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
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0622    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
    2.8000    3.6373    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
    7.0000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 N   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
    7.0000    1.2124    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
    4.9000    0.0000    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
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8859    0.0798    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.5544    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8859    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7088    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2229    0.0798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2229    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3185    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6879    3.9676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6279    2.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0021    3.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4362    4.5518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962    5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1220    5.3037    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
 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 17 21  2  0  0  0  0
 18 23  1  0  0  0  0
 24 25  1  0  0  0  0
 19 24  1  0  0  0  0
 11 22  1  0  0  0  0
  9 10  1  0  0  0  0
 26 27  1  0  0  0  0
  6 26  1  0  0  0  0
 28 29  1  0  0  0  0
  5 28  1  0  0  0  0
 30 31  1  0  0  0  0
  4 30  1  0  0  0  0
 25 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 25  1  0  0  0  0
M  END
>  <Mol_ID> (532)
532

>  <Formula> (532)
C26H29N5O4S

>  <MolWeight> (532)
507.60456

>  <Cat> (532)
S6880

>  <Name> (532)
SRT-1460

>  <Target> (532)
Sirtuin

>  <Form> (532)
free base

>  <CAS> (532)
925432-73-1

>  <URL> (532)
http://www.selleckchem.com/products/srt-1460.html

$$$$

csChFnd80/10082116052D

 27 31  0  0  0  0  0  0  0  0999 V2000
   12.5734    4.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2734    5.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6403    5.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7976    3.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5150    3.3629    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1859    4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6165    2.9778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3630    5.3894    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621    2.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    3.0802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745    4.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6516    5.1910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4255    4.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283    5.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    2.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4583    3.0465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2065    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4115    3.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0204    3.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  1  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
  9 18  2  0  0  0  0
 13 18  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
 19 25  2  0  0  0  0
 20 25  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 26 27  3  0  0  0  0
 19 26  1  0  0  0  0
  8 23  1  0  0  0  0
M  END
>  <Mol_ID> (533)
533

>  <Formula> (533)
C20H11N5OS

>  <MolWeight> (533)
369.39924

>  <Cat> (533)
S6882

>  <Name> (533)
HI-TOPK-032

>  <Target> (533)
TOPK

>  <Form> (533)
free base

>  <CAS> (533)
487020-03-1

>  <URL> (533)
http://www.selleckchem.com/products/hi-topk-032.html

$$$$

csChFnd80/10082116052D

 10 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 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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    3.8595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
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  9 10  1  0  0  0  0
M  END
>  <Mol_ID> (534)
534

>  <Formula> (534)
C6H6N4

>  <MolWeight> (534)
134.13864

>  <Cat> (534)
S6886

>  <Name> (534)
1-Aminobenzotriazole

>  <Target> (534)
P450 (e.g. CYP17)

>  <Form> (534)
free base

>  <CAS> (534)
1614-12-6

>  <URL> (534)
http://www.selleckchem.com/products/1-aminobenzotriazole.html

$$$$

csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.8492    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    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
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
  9 14  2  0  0  0  0
 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 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 17 25  1  0  0  0  0
 20 25  1  0  0  0  0
 22 26  1  0  0  0  0
 16 24  1  0  0  0  0
 15 16  1  0  0  0  0
 12 15  1  0  0  0  0
  8  9  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
>  <Mol_ID> (535)
535

>  <Formula> (535)
C15H13F3N6O2

>  <MolWeight> (535)
366.2979296

>  <Cat> (535)
S6893

>  <Name> (535)
PIN1 inhibitor API-1

>  <Target> (535)
DNA/RNA Synthesis

>  <Form> (535)
free base

>  <CAS> (535)
680622-70-2

>  <URL> (535)
http://www.selleckchem.com/products/pin1-inhibitor-api-1.html

$$$$

csChFnd80/10082116052D

 36 40  0  0  0  0  0  0  0  0999 V2000
    1.2120    4.1116    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2120    2.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    2.0110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6387    2.7120    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (536)
536

>  <Formula> (536)
C27H32ClN5O3

>  <MolWeight> (536)
510.02768

>  <Cat> (536)
S7803

>  <Name> (536)
GSK484 HCl

>  <Target> (536)
PAD

>  <Form> (536)
hydrochloride

>  <CAS> (536)
1652591-81-5

>  <URL> (536)
http://www.selleckchem.com/products/gsk484-hcl.html

$$$$

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>  <Mol_ID> (537)
537

>  <Formula> (537)
C27H33N5O4S

>  <MolWeight> (537)
523.64702

>  <Cat> (537)
S8449

>  <Name> (537)
VH298

>  <Target> (537)
E3 Ligase 

>  <Form> (537)
free base

>  <CAS> (537)
2097381-85-4

>  <URL> (537)
http://www.selleckchem.com/products/vh298.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (538)
538

>  <Formula> (538)
C25H27N5O2

>  <MolWeight> (538)
429.51418

>  <Cat> (538)
S8574

>  <Name> (538)
BI 894999

>  <Target> (538)
Epigenetic Reader Do

>  <Form> (538)
free base

>  <CAS> (538)
1660117-38-3

>  <URL> (538)
http://www.selleckchem.com/products/bi894999.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (539)
539

>  <Formula> (539)
C18H15Cl2N3O3

>  <MolWeight> (539)
392.236

>  <Cat> (539)
S8837

>  <Name> (539)
FB23-2

>  <Target> (539)
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>  <Form> (539)
free base

>  <CAS> (539)
2243736-45-8

>  <URL> (539)
http://www.selleckchem.com/products/fb23-2.html

$$$$

csChFnd80/10082116052D

 53 60  0  0  0  0  0  0  0  0999 V2000
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M  END
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540

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free base

>  <CAS> (540)
2225938-17-8

>  <URL> (540)
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csChFnd80/10082116052D

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>  <Mol_ID> (541)
541

>  <Formula> (541)
C19H23FN2O3S

>  <MolWeight> (541)
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S8992

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>  <Target> (541)
PARP

>  <Form> (541)
free base

>  <CAS> (541)
2360851-29-0

>  <URL> (541)
http://www.selleckchem.com/products/rbn012759.html

$$$$

csChFnd80/10082116052D

 22 23  0  0  0  0  0  0  0  0999 V2000
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1422365-93-2

>  <URL> (542)
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>  <Form> (543)
free base

>  <CAS> (543)
0

>  <URL> (543)
http://www.selleckchem.com/products/neo2734.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (544)
544

>  <Formula> (544)
C25H20FN7O

>  <MolWeight> (544)
453.4710032

>  <Cat> (544)
S9658

>  <Name> (544)
SP-146

>  <Target> (544)
Aurora Kinase

>  <Form> (544)
free base

>  <CAS> (544)
No

>  <URL> (544)
http://www.selleckchem.com/products/sp-146.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (545)
545

>  <Formula> (545)
C97H144FN33O19S2

>  <MolWeight> (545)
2159.5193632

>  <Cat> (545)
S9665

>  <Name> (545)
Motixafortide (BL-8040)

>  <Target> (545)
CXCR

>  <Form> (545)
free base

>  <CAS> (545)
664334-36-5

>  <URL> (545)
http://www.selleckchem.com/products/motixafortide-bl-8040-.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (546)
546

>  <Formula> (546)
C28H26N4O3

>  <MolWeight> (546)
466.53104

>  <Cat> (546)
S1421

>  <Name> (546)
Staurosporine

>  <Synonyms> (546)
CGP 41251

>  <Target> (546)
PKC,ADC Cytotoxin,PKA,S6 Kinase,CaMK,PKG i

>  <Form> (546)
Free Base

>  <CAS> (546)
62996-74-1

>  <URL> (546)
https://www.selleckchem.com/products/Staurosporine.html

$$$$

csChFnd80/10082116052D

 19 21  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (547)
547

>  <Formula> (547)
C15H12N2O2

>  <MolWeight> (547)
252.26798

>  <Cat> (547)
S0519

>  <Name> (547)
BYK204165

>  <Synonyms> (547)
N/A

>  <Target> (547)
PARP

>  <Form> (547)
Free Base

>  <CAS> (547)
1104546-89-5

>  <URL> (547)
https://www.selleckchem.com/products/byk204165.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (548)
548

>  <Formula> (548)
C17H15N5

>  <MolWeight> (548)
289.3345

>  <Cat> (548)
S0540

>  <Name> (548)
BAY-474

>  <Synonyms> (548)
N/A

>  <Target> (548)
c-Met

>  <Form> (548)
Free Base

>  <CAS> (548)
1033767-86-0

>  <URL> (548)
https://www.selleckchem.com/products/bay-474.html

$$$$

csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
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   12.0987    0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
  2 15  1  0  0  0  0
  3 14  2  0  0  0  0
  4 18  2  0  0  0  0
  5 22  1  0  0  0  0
  5 24  1  0  0  0  0
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  7 25  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 18  1  0  0  0  0
  9 23  1  0  0  0  0
 10 20  1  0  0  0  0
 10 22  2  0  0  0  0
 11 12  1  0  0  0  0
 12 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 16  1  0  0  0  0
 15 16  2  0  0  0  0
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 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (549)
549

>  <Formula> (549)
C20H18ClN3O6

>  <MolWeight> (549)
431.82642

>  <Cat> (549)
S0729

>  <Name> (549)
TP0463518

>  <Synonyms> (549)
N/A

>  <Target> (549)
HIF

>  <Form> (549)
Free Base

>  <CAS> (549)
1558021-37-6

>  <URL> (549)
https://www.selleckchem.com/products/tp0463518.html

$$$$

csChFnd80/10082116052D

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.4734    1.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4810    3.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 22  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3 15  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  2  0  0  0  0
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  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 12  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 13  2  0  0  0  0
 11 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  1  0  0  0  0
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 17 18  2  0  0  0  0
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 20 21  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (550)
550

>  <Formula> (550)
C20H16N2O

>  <MolWeight> (550)
300.35384

>  <Cat> (550)
S0732

>  <Name> (550)
GeA-69

>  <Synonyms> (550)
N/A

>  <Target> (550)
PARP

>  <Form> (550)
Free Base

>  <CAS> (550)
2143475-98-1

>  <URL> (550)
https://www.selleckchem.com/products/gea-69.html

$$$$

csChFnd80/10082116052D

 80 89  0  0  0  0  0  0  0  0999 V2000
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   23.0779    9.8820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.0698    8.4217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369    7.9348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.6426    9.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306    7.2095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (551)
551

>  <Formula> (551)
C51H82O21

>  <MolWeight> (551)
1031.18418

>  <Cat> (551)
S9156

>  <Name> (551)
Chonglou Saponin VII

>  <Synonyms> (551)
Dioscinin, Polyphyllin-VII, Paris saponin-VII

>  <Target> (551)
others

>  <Form> (551)
Free Base

>  <CAS> (551)
68124-04-9

>  <URL> (551)
https://www.selleckchem.com/products/chonglou-saponin-vii.html

$$$$

csChFnd80/10082116052D

 58 63  0  0  0  0  0  0  0  0999 V2000
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 54 58  1  0  0  0  0
M  END
>  <Mol_ID> (552)
552

>  <Formula> (552)
C42H70O12

>  <MolWeight> (552)
766.998

>  <Cat> (552)
S9210

>  <Name> (552)
Ginsenoside Rk1

>  <Synonyms> (552)
N/A

>  <Target> (552)
others

>  <Form> (552)
Free Base

>  <CAS> (552)
494753-69-4

>  <URL> (552)
https://www.selleckchem.com/products/ginsenoside-rk1.html

$$$$

csChFnd80/10082116052D

 69 76  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (553)
553

>  <Formula> (553)
C47H76O16

>  <MolWeight> (553)
897.09674

>  <Cat> (553)
S9262

>  <Name> (553)
Raddeanin A

>  <Synonyms> (553)
Raddeanin R3, NSC382873

>  <Target> (553)
HDAC

>  <Form> (553)
Free Base

>  <CAS> (553)
89412-79-3

>  <URL> (553)
https://www.selleckchem.com/products/raddeanin-a.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (554)
554

>  <Formula> (554)
C19H20O5

>  <MolWeight> (554)
328.3591

>  <Cat> (554)
S9264

>  <Name> (554)
Decursin

>  <Synonyms> (554)
N/A

>  <Target> (554)
Immunology & Inflammation related

>  <Form> (554)
Free Base

>  <CAS> (554)
5928-25-6

>  <URL> (554)
https://www.selleckchem.com/products/decursin.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (555)
555

>  <Formula> (555)
C57H92O28

>  <MolWeight> (555)
1225.32358

>  <Cat> (555)
S9304

>  <Name> (555)
Platycodin D

>  <Synonyms> (555)
N/A

>  <Target> (555)
Immunology & Inflammation related

>  <Form> (555)
Free Base

>  <CAS> (555)
58479-68-8

>  <URL> (555)
https://www.selleckchem.com/products/platycodin-d.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (556)
556

>  <Formula> (556)
C16H15BrN2O5S

>  <MolWeight> (556)
427.2697

>  <Cat> (556)
S0344

>  <Name> (556)
Y06036

>  <Synonyms> (556)
N/A

>  <Target> (556)
Epigenetic Reader Domain

>  <Form> (556)
Free Base

>  <CAS> (556)
1832671-96-1

>  <URL> (556)
https://www.selleckchem.com/products/y06036.html

$$$$

csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 Cl  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
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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
   10.9119    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
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    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
    2.4248    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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9001    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
   14.5493    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 15  2  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  2  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  7 24  1  0  0  0  0
  8 18  1  0  0  0  0
  8 24  2  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  2  0  0  0  0
 13 21  1  0  0  0  0
 14 17  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  2  0  0  0  0
 18 26  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 25  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (557)
557

>  <Formula> (557)
C17H14Cl2N6O

>  <MolWeight> (557)
389.23866

>  <Cat> (557)
S0384

>  <Name> (557)
RO495

>  <Synonyms> (557)
CS-2667

>  <Target> (557)
JAK

>  <Form> (557)
Free Base

>  <CAS> (557)
1258296-60-4

>  <URL> (557)
https://www.selleckchem.com/products/ro495.html

$$$$

csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2040    5.6000    0.0000 O   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
    2.4248    7.0000    0.0000 N   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
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    4.4734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3870    6.7266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   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
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    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
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    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
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7 11  2  0  0  0  0
  7 15  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  2  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 18  2  0  0  0  0
 13 17  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (558)
558

>  <Formula> (558)
C16H10F2N6O

>  <MolWeight> (558)
340.2870064

>  <Cat> (558)
S0411

>  <Name> (558)
BAM 15

>  <Synonyms> (558)
N/A

>  <Target> (558)
AMPK. apoptosis related

>  <Form> (558)
Free Base

>  <CAS> (558)
210302-17-3

>  <URL> (558)
https://www.selleckchem.com/products/bam-15.html

$$$$

csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.7525    3.2763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5852    4.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7722    5.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4369    5.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306    5.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0122    5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2063    3.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2164    6.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5883    7.1482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735    1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5404    1.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9614    0.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2741    1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8530    2.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4861    2.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6409    0.7292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2919    7.9139    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  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  2  0  0  0  0
  3 10  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 16 19  1  0  0  0  0
 12 13  1  0  0  0  0
  1 12  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
>  <Mol_ID> (559)
559

>  <Formula> (559)
C16H12ClNO

>  <MolWeight> (559)
269.72558

>  <Cat> (559)
S0780

>  <Name> (559)
Oncrasin-1

>  <Synonyms> (559)
N/A

>  <Target> (559)
DNA/RNA Synthesis. Ras. PKC

>  <Form> (559)
Free Base

>  <CAS> (559)
75629-57-1

>  <URL> (559)
https://www.selleckchem.com/products/oncrasin-1.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
   13.5967    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4726    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5269    3.8274    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1469    7.3918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    5.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4083    4.9150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    3.5702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    5.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8015    4.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992    3.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7991    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6463    6.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2200    4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5993    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8414    4.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8991    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6332    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    3.5702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3 14  1  0  0  0  0
  4 13  2  0  0  0  0
  5 18  2  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 18  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  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
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (560)
560

>  <Formula> (560)
C16H11Cl2N3O2S

>  <MolWeight> (560)
380.24844

>  <Cat> (560)
S0795

>  <Name> (560)
O-304

>  <Synonyms> (560)
O-304X

>  <Target> (560)
AMPK

>  <Form> (560)
Free Base

>  <CAS> (560)
1261289-04-6

>  <URL> (560)
https://www.selleckchem.com/products/o-304.html

$$$$

csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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
    8.4870    4.9000    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
    3.6373    4.9000    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 21  1  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  4 10  2  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (561)
561

>  <Formula> (561)
C18H16O5

>  <MolWeight> (561)
312.31664

>  <Cat> (561)
S0913

>  <Name> (561)
4',5,7-Trimethoxyflavone

>  <Synonyms> (561)
5,?7,?4'-Trimethoxyflavone, TMF

>  <Target> (561)
apoptosis related. Caspase. PARP.

>  <Form> (561)
Free Base

>  <CAS> (561)
5631-70-9

>  <URL> (561)
https://www.selleckchem.com/products/4-5-7-trimethoxyflavone.html

$$$$

csChFnd80/10082116052D

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.9064    4.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    4.1908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682    3.0054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    1.6185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4605    4.0816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2475    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8188    1.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3523    4.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0390    3.7563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5653    1.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    3.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8128    3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7536    2.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2404    4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1218    2.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6085    4.9312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5493    3.8944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0625    1.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0359    6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 15  2  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (562)
562

>  <Formula> (562)
C18H19N3O2S

>  <MolWeight> (562)
341.42736

>  <Cat> (562)
S1027

>  <Name> (562)
FL-411

>  <Synonyms> (562)
BRD4-IN-1

>  <Target> (562)
Epigenetic Reader Domain. Autophagy

>  <Form> (562)
Free Base

>  <CAS> (562)
2118944-88-8

>  <URL> (562)
https://www.selleckchem.com/products/fl-411.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.8000    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
    6.0621   11.9000    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
    8.4871   10.5000    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
    7.2747   12.6000    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
    8.4871   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
  3 11  2  0  0  0  0
  4 24  1  0  0  0  0
  5 25  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
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  2  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 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (563)
563

>  <Formula> (563)
C20H16Br2O3

>  <MolWeight> (563)
464.14724

>  <Cat> (563)
S1161

>  <Name> (563)
Histone?Acetyltransferase?Inhibitor?II

>  <Synonyms> (563)
HAT Inhibitor II

>  <Target> (563)
Epigenetic Reader Domain, Histone Acetyltran

>  <Form> (563)
Free Base

>  <CAS> (563)
932749-62-7

>  <URL> (563)
https://www.selleckchem.com/products/histone-acetyltransferase-inhibitor-ii.html

$$$$

csChFnd80/10082116052D

 23 26  0  0  0  0  0  0  0  0999 V2000
    3.7497    1.3323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8837    0.5114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0545    7.5779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1846    4.9163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    2.4590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3480    8.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6619    7.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1367    9.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946    8.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9895    6.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    5.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3594    6.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7497    3.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4896    4.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    5.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595    4.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  6  1  0  0  0  0
  1 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
 18 19  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
>  <Mol_ID> (564)
564

>  <Formula> (564)
C17H17N3O2S

>  <MolWeight> (564)
327.40078

>  <Cat> (564)
S1232

>  <Name> (564)
M1001

>  <Synonyms> (564)
N/A

>  <Target> (564)
HIF

>  <Form> (564)
Free Base

>  <CAS> (564)
874590-32-6

>  <URL> (564)
https://www.selleckchem.com/products/m1001.html

$$$$

csChFnd80/10082116052D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.6089    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3089    7.7544    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6555   10.1660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    8.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4763    6.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   13.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   12.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417    6.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6089    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  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
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (565)
565

>  <Formula> (565)
C14H14ClN3S

>  <MolWeight> (565)
291.79906

>  <Cat> (565)
S1242

>  <Name> (565)
CPTH2

>  <Synonyms> (565)
N/A

>  <Target> (565)
Histone Acetyltransferase. Apoptosis related

>  <Form> (565)
Free Base

>  <CAS> (565)
357649-93-5

>  <URL> (565)
https://www.selleckchem.com/products/cpth2.html

$$$$

csChFnd80/10082116052D

 32 36  0  0  0  0  0  0  0  0999 V2000
   11.3555    6.6488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5018    2.5251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   10.2794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9346    3.8565    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   13.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    8.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6516    6.0794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923    5.6084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8229    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
    2.1018    2.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6692    3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    4.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   10.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144   12.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268    8.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2268   14.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0144    8.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4392    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8641    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1617    3.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0766    6.0794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923    4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2229    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5540    2.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3388    1.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 28  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 21  2  0  0  0  0
  7 25  1  0  0  0  0
  8 22  1  0  0  0  0
  8 25  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 29  2  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
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (566)
566

>  <Formula> (566)
C22H31N9O

>  <MolWeight> (566)
437.54124

>  <Cat> (566)
S1272

>  <Name> (566)
XL228

>  <Synonyms> (566)
N/A

>  <Target> (566)
Bcr-Abl. Aurora Kinase. IGF-1R. Src.

>  <Form> (566)
Free Base

>  <CAS> (566)
898280-07-4

>  <URL> (566)
https://www.selleckchem.com/products/xl228.html

$$$$

csChFnd80/10082116052D

 44 48  0  0  0  0  0  0  0  0999 V2000
    2.4168    4.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    4.8734    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    2.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    4.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    4.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6232    6.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6339    2.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0033    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    2.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0573    4.8786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    6.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2137    0.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    2.0905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6705    2.7850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    2.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6705    4.1703    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2592    4.1847    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9001    4.8802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4722    4.8621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4168    5.5729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2691    5.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    0.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6718    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8704    2.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4089    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    8.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6236   10.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8045    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7895    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    6.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2230    8.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9987    8.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5695    6.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4501    6.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   10.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2097   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9910   13.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   12.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5550   13.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  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  6  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  1  0  0  0
 18 21  1  0  0  0  0
 19 21  1  0  0  0  0
  1 22  1  6  0  0  0
 11 19  1  0  0  0  0
 19 23  1  6  0  0  0
 15 24  1  1  0  0  0
 24 25  1  0  0  0  0
 16 26  1  6  0  0  0
 21 27  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 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 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 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 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 38  1  0  0  0  0
 42 44  1  0  0  0  0
M  END
>  <Mol_ID> (567)
567

>  <Formula> (567)
C29H30O13

>  <MolWeight> (567)
586.5407

>  <Cat> (567)
S1273

>  <Name> (567)
Amarogentin

>  <Synonyms> (567)
AG

>  <Target> (567)
Taste Receptor. TNF-alpha. Apoptosis related

>  <Form> (567)
Free Base

>  <CAS> (567)
21018-84-8

>  <URL> (567)
https://www.selleckchem.com/products/amarogentin.html

$$$$

csChFnd80/10082116052D

 29 31  0  0  0  0  0  0  0  0999 V2000
   13.3371    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    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
   10.9123    3.5001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5495    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    4.2001    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.5495    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4697    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2045    8.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6371    9.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    3.5001    0.0000 C   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
    8.4873    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 18  2  0  0  0  0
  3 29  2  0  0  0  0
  4  7  1  0  0  0  0
 11  5  1  6  0  0  0
  5 21  1  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 18  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  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
 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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (568)
568

>  <Formula> (568)
C22H33N3O4

>  <MolWeight> (568)
403.51512

>  <Cat> (568)
S1313

>  <Name> (568)
GSK3117391

>  <Synonyms> (568)
GSK3117391A, HDAC-IN-3

>  <Target> (568)
HDAC

>  <Form> (568)
Free Base

>  <CAS> (568)
1018673-42-1

>  <URL> (568)
https://www.selleckchem.com/products/gsk3117391.html

$$$$

csChFnd80/10082116052D

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    3.6373    2.1000    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
    3.6373    0.7000    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    4.2000    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
    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    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
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 11  1  0  0  0  0
  8 13  2  0  0  0  0
  9 15  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (569)
569

>  <Formula> (569)
C13H8O3

>  <MolWeight> (569)
212.20082

>  <Cat> (569)
S1321

>  <Name> (569)
Urolithin B

>  <Synonyms> (569)
N/A

>  <Target> (569)
NF-¦ÊB. I¦ÊB/IKK. JNK. ERK. Akt. AMPK

>  <Form> (569)
Free Base

>  <CAS> (569)
1139-83-9

>  <URL> (569)
https://www.selleckchem.com/products/urolithin-b.html

$$$$

csChFnd80/10082116052D

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.1573    0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    0.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    2.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    4.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (570)
570

>  <Formula> (570)
C16H12O3

>  <MolWeight> (570)
252.26468

>  <Cat> (570)
S1323

>  <Name> (570)
7-Methoxyisoflavone

>  <Synonyms> (570)
MIF

>  <Target> (570)
AMPK

>  <Form> (570)
Free Base

>  <CAS> (570)
1621-56-3

>  <URL> (570)
https://www.selleckchem.com/products/7-methoxyisoflavone.html

$$$$

csChFnd80/10082116052D

 12  9  0  0  0  0  0  0  0  0999 V2000
   10.7932    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4389    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.0781    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5031    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.2907    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2284    1.4000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4408    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8657    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0781    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6533    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4408    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  1  0  0  0
  4 11  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  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  1  0  0  0  0
M  END
>  <Mol_ID> (571)
571

>  <Formula> (571)
C5H6Na2O5

>  <MolWeight> (571)
192.07768

>  <Cat> (571)
S1325

>  <Name> (571)
L-2-Hydroxyglutaric acid disodium

>  <Synonyms> (571)
(S)-2-Hydroxyglutaric acid disodium, L-2-Hydroxyglutarate disodium, LG

>  <Target> (571)
Histone Demethylase

>  <Form> (571)
Disodium

>  <CAS> (571)
63512-50-5

>  <URL> (571)
https://www.selleckchem.com/products/l-2-hydroxyglutaric-acid-disodium.html

$$$$

csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9367    3.2137    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    0.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    1.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0103    2.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4103    1.2097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7419    3.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.6443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    1.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 22  1  0  0  0  0
  2  5  1  0  0  0  0
  2  8  1  0  0  0  0
  3 12  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  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
 12 14  2  0  0  0  0
 13 15  2  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
 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
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (572)
572

>  <Formula> (572)
C18H16O3S

>  <MolWeight> (572)
312.38284

>  <Cat> (572)
S2937

>  <Name> (572)
SYP-5

>  <Synonyms> (572)
N/A

>  <Target> (572)
HIF

>  <Form> (572)
Free Base

>  <CAS> (572)
1384268-04-5

>  <URL> (572)
https://www.selleckchem.com/products/syp-5.html

$$$$

csChFnd80/10082116052D

 38 39  0  0  0  0  0  0  0  0999 V2000
    5.2267    2.2209    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   20.6005    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   14.5175    3.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    1.7946    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8425    5.2902    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   24.1863    3.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    3.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3632    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0513    5.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1623    1.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2600    5.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5757    3.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7549    1.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.7900    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4170    5.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9854    1.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6852    5.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9385    3.8856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3123    3.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020    3.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3997    3.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1863    5.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2085    1.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3 27  1  0  0  0  0
  3 33  1  0  0  0  0
  4 28  1  0  0  0  0
  4 34  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  2  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 16  2  0  0  0  0
  6 18  1  0  0  0  0
  7 13  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 14  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 24  2  0  0  0  0
 12 26  1  0  0  0  0
 13 19  2  0  0  0  0
 13 21  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  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  2  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 30  2  0  0  0  0
 28 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (573)
573

>  <Formula> (573)
C30H36Br2N4O2

>  <MolWeight> (573)
644.44044

>  <Cat> (573)
S2942

>  <Name> (573)
EB-3D

>  <Synonyms> (573)
N/A

>  <Target> (573)
Choline kinase. AMPK. Apoptosis related

>  <Form> (573)
Free Base

>  <CAS> (573)
1839150-63-8

>  <URL> (573)
https://www.selleckchem.com/products/eb-3d.html

$$$$

csChFnd80/10082116052D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.1332    5.6116    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.2484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    0.7193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    6.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    7.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6124    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    2.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1324    2.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3 13  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 12  1  0  0  0  0
  8 20  2  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 18  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 19  2  0  0  0  0
 18 21  2  0  0  0  0
M  END
>  <Mol_ID> (574)
574

>  <Formula> (574)
C13H17Cl2N3O2S

>  <MolWeight> (574)
350.26398

>  <Cat> (574)
S2964

>  <Name> (574)
HA-100 dihydrochloride

>  <Synonyms> (574)
N/A

>  <Target> (574)
PKG, PKA, PKC, MLCK

>  <Form> (574)
Dihydrochlori

>  <CAS> (574)
210297-47-5

>  <URL> (574)
https://www.selleckchem.com/products/ha-100.html

$$$$

csChFnd80/10082116052D

 35 34  0  0  0  0  0  0  0  0999 V2000
   11.2073    4.9554    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.8171    3.1418    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   14.4269    1.3284    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3977    3.5553    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   17.0016    0.8377    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   11.6708    0.0163    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1306    6.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6309    9.6935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6767    9.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8789    5.3973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5358    4.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7652    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6492    6.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0985    1.7705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1885    3.4233    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    6.0038    7.2267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2690    7.2108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5974    6.7688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5499    7.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2310    5.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    6.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1370    7.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351    9.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  0  0  0  0
  2 11  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  2  0  0  0  0
  3 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  2  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
 26  8  1  6  0  0  0
 27  9  1  6  0  0  0
 10 30  1  0  0  0  0
 14 34  2  0  0  0  0
 28 21  1  1  0  0  0
 21 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 32  2  0  0  0  0
 22 33  1  0  0  0  0
 23 31  1  0  0  0  0
 23 35  2  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 25 35  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
 29 30  1  1  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (575)
575

>  <Formula> (575)
C10H13N5Na3O14P3

>  <MolWeight> (575)
589.125913

>  <Cat> (575)
S3084

>  <Name> (575)
Guanosine 5'-triphosphate trisodium sa

>  <Synonyms> (575)
5'-GTP trisodium salt, Guanosine triphosphate, H4GTP

>  <Target> (575)
others

>  <Form> (575)
Trisodium sal

>  <CAS> (575)
36051-31-7

>  <URL> (575)
https://www.selleckchem.com/products/guanosine-5-triphosphate-trisodium-salt.htm

$$$$

csChFnd80/10082116052D

 18 17  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7037    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9161    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1286    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410   10.5073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    8.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
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 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (576)
576

>  <Formula> (576)
C16H30O2

>  <MolWeight> (576)
254.4082

>  <Cat> (576)
S3341

>  <Name> (576)
Palmitoleic acid

>  <Synonyms> (576)
POA, Palmitoleate

>  <Target> (576)
AMPK

>  <Form> (576)
Free Base

>  <CAS> (576)
373-49-9

>  <URL> (576)
https://www.selleckchem.com/products/palmitoleic-acid.html

$$$$

csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.1550    5.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4912    6.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    4.5246    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3391    6.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957    7.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6999    5.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3784    4.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5299    3.3748    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1690    8.1185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7168    8.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9106    6.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3733    2.7002    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7000    2.2594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9298    3.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9260    7.6687    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7168    9.7748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2376    1.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1238    0.9251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608    2.4558    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8251    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5483    2.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4125    1.3929    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1357    1.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.1485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9946    3.3600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 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> (577)
577

>  <Formula> (577)
C14H20N6O5S

>  <MolWeight> (577)
384.4108

>  <Cat> (577)
S7868

>  <Name> (577)
S-Adenosyl-L-homocysteine (SAH)

>  <Synonyms> (577)
S-Adenosylhomocysteine, AdoHcy, Formycinylhomocysteine

>  <Target> (577)
Histone Methyltransferase

>  <Form> (577)
Free Base

>  <CAS> (577)
979-92-0

>  <URL> (577)
https://www.selleckchem.com/products/s-adenosyl-l-homocysteine.html

$$$$

csChFnd80/10082116052D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.4138    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2593    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2593    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    9.7927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908    5.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5908    8.1253    0.0000 C   0  0  1  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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    4.6469    9.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8344   11.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2593   11.8927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2908    9.3378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6261    7.6927    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6261    6.2927    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
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 12  1  0  0  0  0
  7 20  3  0  0  0  0
 16 21  2  0  0  0  0
 16 22  2  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  6  0  0  0
 18 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <Mol_ID> (578)
578

>  <Formula> (578)
C17H10F5NO4S

>  <MolWeight> (578)
419.322616

>  <Cat> (578)
S8351

>  <Name> (578)
PT2399

>  <Synonyms> (578)
N/A

>  <Target> (578)
HIF

>  <Form> (578)
Free Base

>  <CAS> (578)
1672662-14-4

>  <URL> (578)
https://www.selleckchem.com/products/pt2399.html

$$$$

csChFnd80/10082116052D

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.2124    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.0173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    3.3149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    6.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4291    8.9246    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8291    7.5246    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    7.5246    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.1222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    5.4222    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    9.7079    6.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    5.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    5.4222    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    7.5222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5619    3.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5619    6.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.2076    1.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4243    3.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.8492    0.5124    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  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  1 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
 13 16  1  6  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
 19 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 20  1  0  0  0  0
 24 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
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (579)
579

>  <Formula> (579)
C20H23F6N7O3

>  <MolWeight> (579)
523.4321392

>  <Cat> (579)
S8993

>  <Name> (579)
RBN-2397

>  <Synonyms> (579)
N/A

>  <Target> (579)
PARP

>  <Form> (579)
Free Base

>  <CAS> (579)
2381037-82-5

>  <URL> (579)
https://www.selleckchem.com/products/rbn-2397.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
    2.4249   11.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   12.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6903    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
  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  1  0  0  0  0
 14  9  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 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
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (580)
580

>  <Formula> (580)
C17H16N4O4

>  <MolWeight> (580)
340.33334

>  <Cat> (580)
S9656

>  <Name> (580)
Enarodustat (JTZ-951)

>  <Synonyms> (580)
N/A

>  <Target> (580)
HIF

>  <Form> (580)
Free Base

>  <CAS> (580)
1262132-81-9

>  <URL> (580)
https://www.selleckchem.com/products/enarodustat.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.7324    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0071    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7947    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    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> (581)
581

>  <Formula> (581)
C16H16N2O6

>  <MolWeight> (581)
332.30804

>  <Cat> (581)
S9699

>  <Name> (581)
Desidustat

>  <Synonyms> (581)
ZYAN1, ZYAN1-1001

>  <Target> (581)
HIF

>  <Form> (581)
Free Base

>  <CAS> (581)
1616690-16-4

>  <URL> (581)
https://www.selleckchem.com/products/desidustat.html

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csChFnd80/10082116052D

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>  <Mol_ID> (582)
582

>  <Formula> (582)
C22H16F4N6O2

>  <MolWeight> (582)
472.3950528

>  <Cat> (582)
S9712

>  <Name> (582)
Fluzoparib (SHR-3162)

>  <Synonyms> (582)
HS10160

>  <Target> (582)
PARP

>  <Form> (582)
Free Base

>  <CAS> (582)
1358715-18-0

>  <URL> (582)
https://www.selleckchem.com/products/fluzoparib.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (583)
583

>  <Formula> (583)
C18H19N3O3

>  <MolWeight> (583)
325.36176

>  <Cat> (583)
S9685

>  <Name> (583)
GSK620

>  <Synonyms> (583)
N/A

>  <Target> (583)
Epigenetic Reader Domain

>  <Form> (583)
Free Base

>  <CAS> (583)
2088410-46-0

>  <URL> (583)
http://www.selleckchem.com/products/gsk620.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (584)
584

>  <Formula> (584)
C30H32F2N4O3

>  <MolWeight> (584)
534.5968864

>  <Cat> (584)
S9667

>  <Name> (584)
CCS-1477 (CBP-IN-1)

>  <Synonyms> (584)
CBP-IN-1, CBP/p300-IN-4

>  <Target> (584)
Epigenetic Reader Domain

>  <Form> (584)
Free Base

>  <CAS> (584)
2222941-37-7

>  <URL> (584)
http://www.selleckchem.com/products/ccs-1477-cbp-in-1-.html

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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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 12  7  2  0  0  0  0
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 16 10  1  0  0  0  0
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 17 18  2  0  0  0  0
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 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
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 31 32  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 30  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 37  1  0  0  0  0
M  END
>  <Mol_ID> (585)
585

>  <Formula> (585)
C29H29N7O3S

>  <MolWeight> (585)
555.65066

>  <Cat> (585)
S8948

>  <Name> (585)
SRX3207

>  <Synonyms> (585)
N/A

>  <Target> (585)
Syk

>  <Form> (585)
Free Base

>  <CAS> (585)
2254693-15-5

>  <URL> (585)
http://www.selleckchem.com/products/srx3207.html

$$$$

csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
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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
  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
  6 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
  3 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 17  1  6  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
  9 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  9  1  0  0  0  0
  8 29  1  1  0  0  0
 21 30  1  1  0  0  0
M  END
>  <Mol_ID> (586)
586

>  <Formula> (586)
C23H27FN2O4

>  <MolWeight> (586)
414.4698832

>  <Cat> (586)
S9684

>  <Name> (586)
GSK046

>  <Synonyms> (586)
iBET-BD2

>  <Target> (586)
Epigenetic Reader Domain

>  <Form> (586)
Free Base

>  <CAS> (586)
2474876-09-8

>  <URL> (586)
http://www.selleckchem.com/products/gsk046.html

$$$$

csChFnd80/10082116052D

 24 27  0  0  0  0  0  0  0  0999 V2000
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  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
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 10 15  2  0  0  0  0
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 13 18  2  0  0  0  0
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>  <Mol_ID> (587)
587

>  <Formula> (587)
C19H18FN3O

>  <MolWeight> (587)
323.3641232

>  <Cat> (587)
S4948

>  <Name> (587)
Rucaparib

>  <Synonyms> (587)
Rubraca, AG014699, PF01367338

>  <Target> (587)
PARP

>  <Form> (587)
Free Base

>  <CAS> (587)
283173-50-2

>  <URL> (587)
http://www.selleckchem.com/products/rucaparib.html

$$$$

csChFnd80/10082116052D

 17 18  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (588)
588

>  <Formula> (588)
C14H12O3

>  <MolWeight> (588)
228.24328

>  <Cat> (588)
S3168

>  <Name> (588)
cis-Resveratrol

>  <Synonyms> (588)
cis-RESV, cRes, (Z)-Resveratrol

>  <Target> (588)
Nrf2

>  <Form> (588)
Free Base

>  <CAS> (588)
61434-67-1

>  <URL> (588)
http://www.selleckchem.com/products/cis-resveratrol.html

$$$$

csChFnd80/10082116052D

 16 18  0  0  0  0  0  0  0  0999 V2000
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  1  5  1  0  0  0  0
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M  END
>  <Mol_ID> (589)
589

>  <Formula> (589)
C14H12N2

>  <MolWeight> (589)
208.25848

>  <Cat> (589)
S3589

>  <Name> (589)
Bendazol

>  <Synonyms> (589)
2-Benzylbenzimidazole, Dibazol, Dibazole, Bendazole, Tromasedan

>  <Target> (589)
NOS

>  <Form> (589)
Free Base

>  <CAS> (589)
621-72-7

>  <URL> (589)
http://www.selleckchem.com/products/bendazol.html

$$$$

csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (590)
590

>  <Formula> (590)
C16H13Cl2N3O2

>  <MolWeight> (590)
350.19932

>  <Cat> (590)
S0374

>  <Name> (590)
GDC046

>  <Synonyms> (590)
N/A

>  <Target> (590)
JAK

>  <Form> (590)
Free Base

>  <CAS> (590)
1258292-64-6

>  <URL> (590)
http://www.selleckchem.com/products/gdc046.html

$$$$

csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
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M  END
>  <Mol_ID> (591)
591

>  <Formula> (591)
C17H19FN4O2

>  <MolWeight> (591)
330.3567632

>  <Cat> (591)
S0864

>  <Name> (591)
ACY-775

>  <Synonyms> (591)
N/A

>  <Target> (591)
HDAC

>  <Form> (591)
Free Base

>  <CAS> (591)
1375466-18-4

>  <URL> (591)
http://www.selleckchem.com/products/acy-775.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (592)
592

>  <Formula> (592)
C20H16ClN3O2

>  <MolWeight> (592)
365.81294

>  <Cat> (592)
S7853

>  <Name> (592)
CPI-0610

>  <Synonyms> (592)
N/A

>  <Target> (592)
Epigenetic Reader Domain

>  <Form> (592)
Free Base

>  <CAS> (592)
1380087-89-7

>  <URL> (592)
http://www.selleckchem.com/products/cpi-0610.html

$$$$

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 20 34  2  0  0  0  0
 21 29  1  0  0  0  0
 21 35  2  0  0  0  0
 22 30  1  0  0  0  0
 22 34  1  0  0  0  0
 23 31  1  0  0  0  0
 23 35  1  0  0  0  0
 24 32  2  0  0  0  0
 24 50  1  0  0  0  0
 25 33  2  0  0  0  0
 25 51  1  0  0  0  0
 26 32  1  0  0  0  0
 27 33  1  0  0  0  0
 28 30  2  0  0  0  0
 28 38  1  0  0  0  0
 29 31  2  0  0  0  0
 29 39  1  0  0  0  0
 30 40  1  0  0  0  0
 31 41  1  0  0  0  0
 32 36  1  0  0  0  0
 33 37  1  0  0  0  0
 36 46  2  0  0  0  0
 37 47  2  0  0  0  0
 38 42  2  0  0  0  0
 39 43  2  0  0  0  0
 40 44  2  0  0  0  0
 41 45  2  0  0  0  0
 42 44  1  0  0  0  0
 43 45  1  0  0  0  0
 46 48  1  0  0  0  0
 47 49  1  0  0  0  0
 48 50  2  0  0  0  0
 49 51  2  0  0  0  0
M  END
>  <Mol_ID> (593)
593

>  <Formula> (593)
C32H34F4N6Na2O11S2

>  <MolWeight> (593)
864.7491128

>  <Cat> (593)
S5608

>  <Name> (593)
Pantoprazole sodium hydrate

>  <Synonyms> (593)
Protonix, BY1023 sodium hydrate, SKF96022 sodium hydrate

>  <Target> (593)
ATPase

>  <Form> (593)
Sodium hydrate

>  <CAS> (593)
164579-32-2

>  <URL> (593)
http://www.selleckchem.com/products/pantoprazole-sodium-hydrate.html

$$$$

csChFnd80/10082116052D

 38 39  0  0  0  0  0  0  0  0999 V2000
    6.4534    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.7254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    4.8129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    7.2378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.8254    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119   10.7378    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2119    8.3129    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8534    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4534    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.3254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.5254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.0254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.6254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    6.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746   10.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   12.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0534    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  1 11  2  0  0  0  0
  1 38  1  0  0  0  0
  2 36  1  0  0  0  0
  3 36  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 37  1  0  0  0  0
  7 37  1  0  0  0  0
  8 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 23  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  2  0  0  0  0
 14 23  2  0  0  0  0
 14 25  1  0  0  0  0
 15 25  1  0  0  0  0
 15 27  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  2  0  0  0  0
 17 26  2  0  0  0  0
 17 30  1  0  0  0  0
 18 32  2  0  0  0  0
 18 35  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
 24 26  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 31  1  0  0  0  0
 28 33  2  0  0  0  0
 29 32  1  0  0  0  0
 30 34  2  0  0  0  0
 30 36  1  0  0  0  0
 31 35  2  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (594)
594

>  <Formula> (594)
C20H21F6N7O4S

>  <MolWeight> (594)
569.4806592

>  <Cat> (594)
S4929

>  <Name> (594)
Enasidenib Mesylate

>  <Synonyms> (594)
Idhifa, AG-221 mesylate

>  <Target> (594)
Dehydrogenase

>  <Form> (594)
Mesylate

>  <CAS> (594)
1650550-25-6

>  <URL> (594)
http://www.selleckchem.com/products/enasidenib-mesylate.html

$$$$

csChFnd80/10082116052D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.3076    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    9.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6076    7.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2821    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9821    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3697    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9449    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5200    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    4.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2685    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1573    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1 17  1  0  0  0  0
  1 25  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  5 21  2  0  0  0  0
  6 19  1  0  0  0  0
  6 21  1  0  0  0  0
  6 24  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  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  2  0  0  0  0
 15 17  2  0  0  0  0
 16 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 26 27  2  0  0  0  0
M  END
>  <Mol_ID> (595)
595

>  <Formula> (595)
C21H21NO4S

>  <MolWeight> (595)
383.46074

>  <Cat> (595)
S3573

>  <Name> (595)
CC-90010

>  <Synonyms> (595)
N/A

>  <Target> (595)
Epigenetic Reader Domain

>  <Form> (595)
Free Base

>  <CAS> (595)
1706738-98-8

>  <URL> (595)
http://www.selleckchem.com/products/cc-90010.html

$$$$

csChFnd80/10082116052D

 12 12  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    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
    1.2124    0.0000    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    0.7000    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    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
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (596)
596

>  <Formula> (596)
C10H12O2

>  <MolWeight> (596)
164.20108

>  <Cat> (596)
S3592

>  <Name> (596)
4-Phenylbutyric acid (4-PBA)

>  <Synonyms> (596)
Benzenebutyric acid

>  <Target> (596)
HDAC

>  <Form> (596)
Free Base

>  <CAS> (596)
1821-12-1

>  <URL> (596)
http://www.selleckchem.com/products/4-phenylbutyric-acid-4-pba-.html

$$$$

csChFnd80/10082116052D

 39 43  0  0  0  0  0  0  0  0999 V2000
    8.3612    1.3523    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.5537    9.8051    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0198    2.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.9899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7136    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4720   14.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734   10.0731    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1691   14.9978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   10.0078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3612    4.0569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.4394    3.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9606    4.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6821    4.6969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3198    3.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9989    2.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4134    7.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755   12.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0231   13.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842   11.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9845   12.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1516   14.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0934    9.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4890   11.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1877   10.0016    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
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1 18  1  0  0  0  0
  2 32  1  0  0  0  0
  3 17  2  0  0  0  0
  7 29  2  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 27  1  0  0  0  0
  9 29  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  1  0  0  0
 13 12  1  1  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 21 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  1  0  0  0  0
 24 28  1  0  0  0  0
 25 30  2  0  0  0  0
 26 29  1  0  0  0  0
 26 31  1  0  0  0  0
 28 33  2  0  0  0  0
 28 34  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 33 36  1  0  0  0  0
 34 37  2  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (597)
597

>  <Formula> (597)
C29H34FN3O5S

>  <MolWeight> (597)
555.6607632

>  <Cat> (597)
S5195

>  <Name> (597)
Rucaparib Camsylate

>  <Synonyms> (597)
Rubraca, AG014699 Camsylate, PF01367338 Camsylate

>  <Target> (597)
PARP

>  <Form> (597)
Camsylate

>  <CAS> (597)
1859053-21-6

>  <URL> (597)
http://www.selleckchem.com/products/rucaparib-camsylate.html

$$$$

csChFnd80/10082116052D

  9  8  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (598)
598

>  <Formula> (598)
C4H11N5

>  <MolWeight> (598)
129.16364

>  <Cat> (598)
S5958

>  <Name> (598)
Metformin

>  <Synonyms> (598)
1,1-Dimethylbiguanide

>  <Target> (598)
AMPK

>  <Form> (598)
Free Base

>  <CAS> (598)
657-24-9

>  <URL> (598)
http://www.selleckchem.com/products/metformin.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (599)
599

>  <Formula> (599)
C14H13N3OS

>  <MolWeight> (599)
271.33752

>  <Cat> (599)
S0981

>  <Name> (599)
BD750

>  <Synonyms> (599)
N/A

>  <Target> (599)
JAK

>  <Form> (599)
Free Base

>  <CAS> (599)
892686-59-8

>  <URL> (599)
http://www.selleckchem.com/products/bd750.html

$$$$

csChFnd80/10082116052D

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M  END
>  <Mol_ID> (600)
600

>  <Formula> (600)
C28H25ClF3N7O2

>  <MolWeight> (600)
583.9920096

>  <Cat> (600)
S4895

>  <Name> (600)
Nilotinib hydrochloride monohydrate

>  <Synonyms> (600)
Tasigna, AMN-107 hydrochloride monohydrate

>  <Target> (600)
Bcr-Abl

>  <Form> (600)
Hydrochloride monohydrate

>  <CAS> (600)
923288-90-8

>  <URL> (600)
http://www.selleckchem.com/products/nilotinib-hydrochloride-monohydrate.html

$$$$

csChFnd80/10082116052D

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>  <Mol_ID> (601)
601

>  <Formula> (601)
C32H47FN6O4S

>  <MolWeight> (601)
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>  <Cat> (601)
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>  <Name> (601)
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>  <Synonyms> (601)
N/A

>  <Target> (601)
MLL

>  <Form> (601)
Free Base

>  <CAS> (601)
2169919-21-3

>  <URL> (601)
http://www.selleckchem.com/products/sndx-5613.html

$$$$

csChFnd80/10082116052D

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   10.6214    6.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9667    8.9662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 31  5  2  0  0  0  0
 23 11  1  0  0  0  0
  8 11  2  0  0  0  0
 26  4  1  0  0  0  0
 12 29  1  0  0  0  0
 36 24  2  0  0  0  0
 19  8  1  0  0  0  0
 28 20  1  0  0  0  0
 15 21  1  0  0  0  0
 27 33  1  0  0  0  0
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 25 22  1  0  0  0  0
 32 10  1  0  0  0  0
  3  7  1  0  0  0  0
  2 14  1  0  0  0  0
  1  6  2  0  0  0  0
 25  5  1  0  0  0  0
  9 14  1  0  0  0  0
 20 30  1  0  0  0  0
 35  4  2  0  0  0  0
 34 27  1  0  0  0  0
 10 24  1  0  0  0  0
 21 32  2  0  0  0  0
 15  3  2  0  0  0  0
 26 23  2  0  0  0  0
 33 31  1  0  0  0  0
  3 26  1  0  0  0  0
 14 30  2  0  0  0  0
 13 23  1  0  0  0  0
 10 20  2  0  0  0  0
 12  6  1  0  0  0  0
  7  9  2  0  0  0  0
 32  9  1  0  0  0  0
  2 17  1  0  0  0  0
  5  4  1  0  0  0  0
 19 18  1  0  0  0  0
 21  1  1  0  0  0  0
 27 16  1  0  0  0  0
  6 24  1  0  0  0  0
 16  1  1  0  0  0  0
 31 15  1  0  0  0  0
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 16 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
>  <Mol_ID> (602)
602

>  <Formula> (602)
C30H26O10

>  <MolWeight> (602)
546.52144

>  <Cat> (602)
E0010

>  <Name> (602)
Hypocrellin A

>  <Synonyms> (602)
N/A

>  <Target> (602)
PKC

>  <Form> (602)
Free Base

>  <CAS> (602)
77029-83-5

>  <URL> (602)
http://www.selleckchem.com/products/hypocrellin-a.html

$$$$

csChFnd80/10082116052D

 19 21  0  0  0  0  0  0  0  0999 V2000
    3.4186    5.3989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6033    1.0388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370    2.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4165    2.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4891    4.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8066    1.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8264    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5597    3.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0595    4.6869    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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 11  1  0  0  0  0
 13 14  2  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 12  4  1  0  0  0  0
  2 15  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
  6 17  1  0  0  0  0
 13 18  1  0  0  0  0
  2 19  1  1  0  0  0
M  END
>  <Mol_ID> (603)
603

>  <Formula> (603)
C15H16O3

>  <MolWeight> (603)
244.28574

>  <Cat> (603)
E0011

>  <Name> (603)
Linderalactone

>  <Synonyms> (603)
N/A

>  <Target> (603)
Bcl-2

>  <Form> (603)
Free Base

>  <CAS> (603)
728-61-0

>  <URL> (603)
http://www.selleckchem.com/products/linderalactone.html

$$$$

csChFnd80/10082116052D

 60 68  0  0  0  0  0  0  0  0999 V2000
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   11.4013    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1434   10.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4013    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9765    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5516    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5013    6.8125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6013    3.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 21  1  1  1  0  0  0
 28  1  1  6  0  0  0
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 32  3  1  1  0  0  0
 43  3  1  1  0  0  0
 39  4  1  1  0  0  0
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 50  6  1  6  0  0  0
 46  7  1  1  0  0  0
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 48  8  1  1  0  0  0
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 22 26  1  1  0  0  0
 22 27  1  0  0  0  0
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 25 28  1  0  0  0  0
 25 33  1  6  0  0  0
 27 31  1  0  0  0  0
 27 32  1  0  0  0  0
 27 36  1  1  0  0  0
 28 35  1  0  0  0  0
 30 34  1  0  0  0  0
 31 34  2  0  0  0  0
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 32 38  1  0  0  0  0
 35 40  1  0  0  0  0
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 40 41  1  0  0  0  0
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 41 44  1  6  0  0  0
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 45 46  1  0  0  0  0
 46 48  1  0  0  0  0
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 50 52  1  0  0  0  0
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 53 56  1  0  0  0  0
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 57 59  1  0  0  0  0
 58 59  1  0  0  0  0
M  END
>  <Mol_ID> (604)
604

>  <Formula> (604)
C44H70O16

>  <MolWeight> (604)
855.017

>  <Cat> (604)
E0022

>  <Name> (604)
Ophiopogonin D

>  <Synonyms> (604)
OJV-VI, Deacetylophiopogonin C

>  <Target> (604)
AMPK

>  <Form> (604)
Free Base

>  <CAS> (604)
945619-74-9

>  <URL> (604)
http://www.selleckchem.com/products/ophiopogonin-d.html

$$$$

csChFnd80/10082116052D

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0613    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
M  END
>  <Mol_ID> (605)
605

>  <Formula> (605)
C5H7N3O2

>  <MolWeight> (605)
141.12798

>  <Cat> (605)
E0027

>  <Name> (605)
5-Hydroxymethylcytosine

>  <Synonyms> (605)
5hmC

>  <Target> (605)
Others

>  <Form> (605)
Free Base

>  <CAS> (605)
1123-95-1

>  <URL> (605)
http://www.selleckchem.com/products/5-hydroxymethylcytosine.html

$$$$

csChFnd80/10082116052D

 25 29  0  0  0  0  0  0  0  0999 V2000
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9721    3.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9388    5.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 15  2  0  0  0  0
  3 12  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4 17  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 16  2  0  0  0  0
  9 11  1  0  0  0  0
  9 17  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  2  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 20  2  0  0  0  0
 13 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
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 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (606)
606

>  <Formula> (606)
C20H13N3O2

>  <MolWeight> (606)
327.33612

>  <Cat> (606)
S0754

>  <Name> (606)
Bisindolylmaleimide IV

>  <Synonyms> (606)
Arcyriarubin A, BIM IV, Compound 5/1a

>  <Target> (606)
CMV

>  <Form> (606)
Free Base

>  <CAS> (606)
119139-23-0

>  <URL> (606)
http://www.selleckchem.com/products/bisindolylmaleimide-iv.html

$$$$

csChFnd80/10082116052D

 25 26  0  0  0  0  0  0  0  0999 V2000
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   13.3501    0.0040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5622    0.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9879    0.7036    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  2  0  0  0  0
 13 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 13  1  0  0  0  0
 18 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  1  0  0  0  0
M  END
>  <Mol_ID> (607)
607

>  <Formula> (607)
C16H14Cl2N2O4S

>  <MolWeight> (607)
401.26436

>  <Cat> (607)
S0855

>  <Name> (607)
TC-E 5003

>  <Synonyms> (607)
NSC 30176

>  <Target> (607)
PRMT

>  <Form> (607)
Free Base

>  <CAS> (607)
17328-16-4

>  <URL> (607)
http://www.selleckchem.com/products/tc-e-5003.html

$$$$

csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
    2.4200    7.4873    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7221    6.2785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    8.6962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7449    6.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 30  2  0  0  0  0
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 26 28  2  0  0  0  0
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M  END
>  <Mol_ID> (608)
608

>  <Formula> (608)
C20H27N7O3S

>  <MolWeight> (608)
445.53848

>  <Cat> (608)
S3566

>  <Name> (608)
Cerdulatinib (PRT062070)

>  <Synonyms> (608)
PRT2070

>  <Target> (608)
JAK

>  <Form> (608)
Free Base

>  <CAS> (608)
1198300-79-6

>  <URL> (608)
http://www.selleckchem.com/products/cerdulatinib.html

$$$$

csChFnd80/10082116052D

 35 38  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (609)
609

>  <Formula> (609)
C22H23N5O8

>  <MolWeight> (609)
485.44672

>  <Cat> (609)
S4460

>  <Name> (609)
IMM-H007

>  <Synonyms> (609)
N/A

>  <Target> (609)
AMPK

>  <Form> (609)
Free Base

>  <CAS> (609)
1221412-23-2

>  <URL> (609)
http://www.selleckchem.com/products/imm-h007.html

$$$$

csChFnd80/10082116052D

 24 24  0  0  0  0  0  0  0  0999 V2000
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 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (610)
610

>  <Formula> (610)
C16H23Cl2N3O2S

>  <MolWeight> (610)
392.34372

>  <Cat> (610)
S6214

>  <Name> (610)
H-1152 dihydrochloride

>  <Synonyms> (610)
H-1152 2HCl

>  <Target> (610)
Aurora Kinase

>  <Form> (610)
Dihydrochloride

>  <CAS> (610)
871543-07-6

>  <URL> (610)
http://www.selleckchem.com/products/h-1152-dihydrochloride.html

$$$$

csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    1.7641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3315    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2516    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1015    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641   10.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  2  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 18 25  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (611)
611

>  <Formula> (611)
C18H14Cl2N2O3

>  <MolWeight> (611)
377.22136

>  <Cat> (611)
S6291

>  <Name> (611)
FB23

>  <Synonyms> (611)
N/A

>  <Target> (611)
FTO

>  <Form> (611)
Free Base

>  <CAS> (611)
2243736-35-6

>  <URL> (611)
http://www.selleckchem.com/products/fb23.html

$$$$

csChFnd80/10082116052D

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 11 12  1  0  0  0  0
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 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
 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  8 26  2  0  0  0  0
  8 27  2  0  0  0  0
 11 28  2  0  0  0  0
M  END
>  <Mol_ID> (612)
612

>  <Formula> (612)
C20H17FN2O4S

>  <MolWeight> (612)
400.4233832

>  <Cat> (612)
S9805

>  <Name> (612)
WM-3835

>  <Synonyms> (612)
N/A

>  <Target> (612)
Histone Acetyltransferase

>  <Form> (612)
Free Base

>  <CAS> (612)
2229025-70-9

>  <URL> (612)
http://www.selleckchem.com/products/wm-3835.html

$$$$

csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
    9.6997    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    4.2001    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.9122    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122    7.0002    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  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  6  1  0  0  0  0
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 12 15  1  0  0  0  0
  9 12  1  0  0  0  0
  3  5  1  0  0  0  0
 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  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
 16 17  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 25 30  2  0  0  0  0
 24 25  1  0  0  0  0
 16 24  1  0  0  0  0
  1 16  1  0  0  0  0
M  END
>  <Mol_ID> (613)
613

>  <Formula> (613)
C24H24F3NO2

>  <MolWeight> (613)
415.4480696

>  <Cat> (613)
S9860

>  <Name> (613)
BC1618

>  <Synonyms> (613)
N/A

>  <Target> (613)
AMPK

>  <Form> (613)
Free Base

>  <CAS> (613)
2222094-18-8

>  <URL> (613)
http://www.selleckchem.com/products/bc1618.html

$$$$

csChFnd80/10082116052D

 16 17  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
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  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  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
M  END
>  <Mol_ID> (614)
614

>  <Formula> (614)
C11H10N4O

>  <MolWeight> (614)
214.2233

>  <Cat> (614)
S9882

>  <Name> (614)
PFI-90

>  <Synonyms> (614)
N/A

>  <Target> (614)
Histone Demethylase

>  <Form> (614)
Free Base

>  <CAS> (614)
53995-62-3

>  <URL> (614)
http://www.selleckchem.com/products/pfi-90.html

$$$$
WAY-312666
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (615)
615

>  <Formula> (615)
C18H17Cl2N3O4S

>  <MolWeight> (615)
442.31628

>  <Cat> (615)
P3594

>  <Name> (615)
WAY-312666

>  <Synonyms> (615)
N/A

>  <Target> (615)
SIRT3

>  <Form> (615)
free base

>  <CAS> (615)
472980-46-4

>  <URL> (615)
N/A

$$$$
WAY-311318
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (616)
616

>  <Formula> (616)
C26H24N2O3

>  <MolWeight> (616)
412.48036

>  <Cat> (616)
P3591

>  <Name> (616)
WAY-311318

>  <Synonyms> (616)
N/A

>  <Target> (616)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (616)
free base

>  <CAS> (616)
333314-79-7

>  <URL> (616)
N/A

$$$$
WAY-312461
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (617)
617

>  <Formula> (617)
C25H22N2O4

>  <MolWeight> (617)
414.45318

>  <Cat> (617)
P3593

>  <Name> (617)
WAY-312461

>  <Synonyms> (617)
N/A

>  <Target> (617)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (617)
free base

>  <CAS> (617)
420827-50-5

>  <URL> (617)
N/A

$$$$
WAY-311581
csChFnd80/10082116052D

 30 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (618)
618

>  <Formula> (618)
C23H25N3O4

>  <MolWeight> (618)
407.4623

>  <Cat> (618)
P3592

>  <Name> (618)
WAY-311581

>  <Synonyms> (618)
N/A

>  <Target> (618)
SIRT3

>  <Form> (618)
free base

>  <CAS> (618)
332125-86-7

>  <URL> (618)
N/A

$$$$
WAY-310766
csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (619)
619

>  <Formula> (619)
C17H28N6O2

>  <MolWeight> (619)
348.44322

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WAY-118959-A
csChFnd80/10082116052D

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N/A

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N/A

$$$$
WAY-249486
csChFnd80/10082116052D

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119730-10-8

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N/A

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WAY-296712
csChFnd80/10082116052D

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88530-99-8

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N/A

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WAY-297285
csChFnd80/10082116052D

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others

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free base

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314043-73-7

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N/A

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WAY-297357
csChFnd80/10082116052D

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N/A

>  <Target> (624)
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N/A

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CL-406156
csChFnd80/10082116052D

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    6.1270   -0.6335    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  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
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 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
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 11 16  2  0  0  0  0
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 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (625)
625

>  <Formula> (625)
C19H22N2O2

>  <MolWeight> (625)
310.39018

>  <Cat> (625)
P3540

>  <Name> (625)
CL-406156

>  <Synonyms> (625)
N/A

>  <Target> (625)
DNA Methyltransferase 1

>  <Form> (625)
free base

>  <CAS> (625)
91324-16-2

>  <URL> (625)
N/A

$$$$
WAY-234636
csChFnd80/10082116052D

 22 25  0  0  0  0  0  0  0  0999 V2000
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    4.3864    2.2931    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  2  0  0  0  0
  5 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  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
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 12 14  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (626)
626

>  <Formula> (626)
C16H12N4O2

>  <MolWeight> (626)
292.29208

>  <Cat> (626)
P3547

>  <Name> (626)
WAY-234636

>  <Synonyms> (626)
N/A

>  <Target> (626)
Androgen Receptor

>  <Form> (626)
free base

>  <CAS> (626)
55589-09-8

>  <URL> (626)
N/A

$$$$
WAY-298378
csChFnd80/10082116052D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.4030   -0.8381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832   -1.0899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513   -0.0485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9970   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7763   -0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8245    0.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3901   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8314    1.1136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6142    0.8619    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
  3  6  1  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
  8 11  2  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
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6  7  2  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (627)
627

>  <Formula> (627)
C12H12N2O3S

>  <MolWeight> (627)
264.30028

>  <Cat> (627)
P3563

>  <Name> (627)
WAY-298378

>  <Synonyms> (627)
N/A

>  <Target> (627)
AMPK

>  <Form> (627)
free base

>  <CAS> (627)
335398-80-6

>  <URL> (627)
N/A

$$$$
WAY-298477
csChFnd80/10082116052D

 32 35  0  0  0  0  0  0  0  0999 V2000
   13.1414    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6884    6.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5263    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3908    5.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9394    7.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4058    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6775    8.8733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2038    5.0748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2718    8.3039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0775    5.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9669    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7201    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7933    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3237    7.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5834    7.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2463    5.9226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2146    8.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  1  1  0  0  0  0
 12 14  1  0  0  0  0
 13  3  1  0  0  0  0
 14 23  1  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 15  2  0  0  0  0
 20 15  1  0  0  0  0
 21  4  1  0  0  0  0
 22  5  1  0  0  0  0
 23 25  1  0  0  0  0
 24 28  1  0  0  0  0
 25 18  2  0  0  0  0
 26 17  1  0  0  0  0
 27 19  1  0  0  0  0
 28 20  2  0  0  0  0
 29 24  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  1  0  0  0  0
 32 29  1  0  0  0  0
  7  9  1  0  0  0  0
 26 23  2  0  0  0  0
  8  6  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (628)
628

>  <Formula> (628)
C23H22N4O5

>  <MolWeight> (628)
434.44458

>  <Cat> (628)
P3564

>  <Name> (628)
WAY-298477

>  <Synonyms> (628)
N/A

>  <Target> (628)
PKC-b II and PKB dual 

>  <Form> (628)
free base

>  <CAS> (628)
1353673-63-8

>  <URL> (628)
N/A

$$$$
WAY-298851
csChFnd80/10082116052D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.1973    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -0.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042   -0.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2510    0.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4042    2.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    2.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2510    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6145    1.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8249    2.6544    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
  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
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
 16 19  1  0  0  0  0
M  END
>  <Mol_ID> (629)
629

>  <Formula> (629)
C15H9ClO3

>  <MolWeight> (629)
272.68316

>  <Cat> (629)
P3565

>  <Name> (629)
WAY-298851

>  <Synonyms> (629)
N/A

>  <Target> (629)
Pim-1,Anti-infection

>  <Form> (629)
free base

>  <CAS> (629)
53391-72-3

>  <URL> (629)
N/A

$$$$
WAY-299178
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.5172    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4552   -0.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379    1.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7552   -1.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6172   -0.3897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2379    2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8966    2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0172   -1.0897    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.2552    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0448    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  6 10  1  0  0  0  0
  8 11  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
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 18 20  2  0  0  0  0
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  5  7  1  0  0  0  0
  9 11  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (630)
630

>  <Formula> (630)
C18H19N3O

>  <MolWeight> (630)
293.36296

>  <Cat> (630)
P3566

>  <Name> (630)
WAY-299178

>  <Synonyms> (630)
N/A

>  <Target> (630)
HDAC

>  <Form> (630)
free base

>  <CAS> (630)
1031349-21-9

>  <URL> (630)
N/A

$$$$
WAY-299510
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.5862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2138   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4310    0.8276    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
  4  8  2  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 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
 14 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
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (631)
631

>  <Formula> (631)
C16H17N5O2

>  <MolWeight> (631)
311.33848

>  <Cat> (631)
P3567

>  <Name> (631)
WAY-299510

>  <Synonyms> (631)
N/A

>  <Target> (631)
Anti-infection,STAT3

>  <Form> (631)
free base

>  <CAS> (631)
1007998-55-1

>  <URL> (631)
N/A

$$$$
WAY-325090
csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
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   -1.1878    1.4429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3 13  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13 18  1  0  0  0  0
 14  5  1  0  0  0  0
 15 12  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 21  1  0  0  0  0
 25 22  2  0  0  0  0
 26 23  2  0  0  0  0
  9  5  2  0  0  0  0
 21 19  1  0  0  0  0
 11 10  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (632)
632

>  <Formula> (632)
C19H15N3O2S2

>  <MolWeight> (632)
381.4713

>  <Cat> (632)
P3617

>  <Name> (632)
WAY-325090

>  <Synonyms> (632)
N/A

>  <Target> (632)
microRNA

>  <Form> (632)
free base

>  <CAS> (632)
1008280-11-2

>  <URL> (632)
N/A

$$$$
CL-414715
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.7960    0.4386    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7960    1.9714    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2621   -0.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2757    0.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    2.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1768    1.1904    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  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
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 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
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (633)
633

>  <Formula> (633)
C15H15N3O4

>  <MolWeight> (633)
301.2973

>  <Cat> (633)
P3541

>  <Name> (633)
CL-414715

>  <Synonyms> (633)
N/A

>  <Target> (633)
EZH2

>  <Form> (633)
free base

>  <CAS> (633)
107392-68-7

>  <URL> (633)
N/A

$$$$
CL-418030
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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    0.7460   -2.7684    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2335   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7460   -1.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0585   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
  6  7  2  0  0  0  0
  2  3  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  2  0  0  0  0
 12 17  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
  3  4  1  0  0  0  0
 15 18  1  0  0  0  0
  1  9  2  0  0  0  0
 18 19  1  0  0  0  0
  9  6  1  0  0  0  0
 18 20  2  0  0  0  0
  4  5  2  0  0  0  0
 19 21  2  0  0  0  0
  4 10  1  0  0  0  0
 21 22  1  0  0  0  0
  5  1  1  0  0  0  0
 22 23  2  0  0  0  0
 10 11  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
M  END
>  <Mol_ID> (634)
634

>  <Formula> (634)
C19H20N4OS

>  <MolWeight> (634)
352.4533

>  <Cat> (634)
P3542

>  <Name> (634)
CL-418030

>  <Synonyms> (634)
N/A

>  <Target> (634)
MLL protein and menin interaction,P2Y12 re

>  <Form> (634)
free base

>  <CAS> (634)
1093748-54-9

>  <URL> (634)
N/A

$$$$
GI-558744
csChFnd80/10082116052D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -1.5761   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -1.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8450    1.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6550   -1.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450   -2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7450   -1.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3826   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347   -2.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0347    2.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (635)
635

>  <Formula> (635)
C14H9NO3

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239.22616

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P3543

>  <Name> (635)
GI-558744

>  <Synonyms> (635)
N/A

>  <Target> (635)
HIF PHD,Anti-infection

>  <Form> (635)
free base

>  <CAS> (635)
1164452-80-5

>  <URL> (635)
N/A

$$$$
WAY-223539
csChFnd80/10082116052D

 19 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (636)
636

>  <Formula> (636)
C14H15NO4

>  <MolWeight> (636)
261.2732

>  <Cat> (636)
P3546

>  <Name> (636)
WAY-223539

>  <Synonyms> (636)
N/A

>  <Target> (636)
BRD4

>  <Form> (636)
free base

>  <CAS> (636)
13729-79-8

>  <URL> (636)
N/A

$$$$
WAY-299582
csChFnd80/10082116052D

 15 16  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
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M  END
>  <Mol_ID> (637)
637

>  <Formula> (637)
C8H12FN5O

>  <MolWeight> (637)
213.2121832

>  <Cat> (637)
P3568

>  <Name> (637)
WAY-299582

>  <Synonyms> (637)
N/A

>  <Target> (637)
KDM5A

>  <Form> (637)
free base

>  <CAS> (637)
118121-89-4

>  <URL> (637)
N/A

$$$$
WAY-299727
csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 10 18  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  8  2  0  0  0  0
 14  9  2  0  0  0  0
 15 11  1  0  0  0  0
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 17  2  1  0  0  0  0
 18 20  2  0  0  0  0
 19 15  2  0  0  0  0
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 21  5  1  0  0  0  0
 22  6  1  0  0  0  0
 23  8  1  0  0  0  0
 24 21  2  0  0  0  0
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M  END
>  <Mol_ID> (638)
638

>  <Formula> (638)
C18H15N3O3S

>  <MolWeight> (638)
353.395

>  <Cat> (638)
P3569

>  <Name> (638)
WAY-299727

>  <Synonyms> (638)
N/A

>  <Target> (638)
histone deacetylase

>  <Form> (638)
free base

>  <CAS> (638)
332169-78-5

>  <URL> (638)
N/A

$$$$
WAY-299788
csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11 15  2  0  0  0  0
 13 16  1  0  0  0  0
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 18 20  1  0  0  0  0
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 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (639)
639

>  <Formula> (639)
C12H18N6O2

>  <MolWeight> (639)
278.31032

>  <Cat> (639)
P3570

>  <Name> (639)
WAY-299788

>  <Synonyms> (639)
N/A

>  <Target> (639)
PARP

>  <Form> (639)
free base

>  <CAS> (639)
50693-74-8

>  <URL> (639)
N/A

$$$$
WAY-299838
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (640)
640

>  <Formula> (640)
C18H19IN2O2

>  <MolWeight> (640)
422.26013

>  <Cat> (640)
P3571

>  <Name> (640)
WAY-299838

>  <Synonyms> (640)
N/A

>  <Target> (640)
HIF-1 

>  <Form> (640)
free base

>  <CAS> (640)
333357-56-5

>  <URL> (640)
N/A

$$$$
WAY-300386
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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   -3.3931    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2931    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2448   -0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4655    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5276    1.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -0.5586    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
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  3  7  1  0  0  0  0
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  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  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
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 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (641)
641

>  <Formula> (641)
C18H19N3O

>  <MolWeight> (641)
293.36296

>  <Cat> (641)
P3572

>  <Name> (641)
WAY-300386

>  <Synonyms> (641)
N/A

>  <Target> (641)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (641)
free base

>  <CAS> (641)
125009-81-6

>  <URL> (641)
N/A

$$$$
WAY-300488
csChFnd80/10082116052D

 14 15  0  0  0  0  0  0  0  0999 V2000
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   -0.1749    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9719    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
 12  9  2  0  0  0  0
 10  8  1  0  0  0  0
  8 11  2  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14  9  1  0  0  0  0
  5  4  2  0  0  0  0
 13  9  1  0  0  0  0
M  END
>  <Mol_ID> (642)
642

>  <Formula> (642)
C11H12N2S

>  <MolWeight> (642)
204.29138

>  <Cat> (642)
P3573

>  <Name> (642)
WAY-300488

>  <Synonyms> (642)
N/A

>  <Target> (642)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (642)
free base

>  <CAS> (642)
299953-94-9

>  <URL> (642)
N/A

$$$$
WAY-300662
csChFnd80/10082116052D

 27 30  0  0  0  0  0  0  0  0999 V2000
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   -2.9342    0.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8963    0.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
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 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
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 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
  7  8  2  0  0  0  0
 11 14  2  0  0  0  0
 15 16  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (643)
643

>  <Formula> (643)
C20H12Cl2N2O2S

>  <MolWeight> (643)
415.29248

>  <Cat> (643)
P3574

>  <Name> (643)
WAY-300662

>  <Synonyms> (643)
N/A

>  <Target> (643)
Aurora Kinase

>  <Form> (643)
free base

>  <CAS> (643)
327051-69-4

>  <URL> (643)
N/A

$$$$
WAY-300856
csChFnd80/10082116052D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2207    0.3621    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2690    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    0.6103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 18 22  1  0  0  0  0
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  5  7  1  0  0  0  0
 14 17  1  0  0  0  0
 23 26  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (644)
644

>  <Formula> (644)
C22H19N3OS

>  <MolWeight> (644)
373.47076

>  <Cat> (644)
P3575

>  <Name> (644)
WAY-300856

>  <Synonyms> (644)
N/A

>  <Target> (644)
Sirtuin,NRF2,p97

>  <Form> (644)
free base

>  <CAS> (644)
129544-85-0

>  <URL> (644)
N/A

$$$$
WAY-389228
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
   12.9542   -7.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9625   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9792   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9917  -10.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -3.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9542   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9875  -10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
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  8  1  1  0  0  0  0
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 10  3  1  0  0  0  0
 11 14  1  0  0  0  0
 12  3  2  0  0  0  0
 13  4  2  0  0  0  0
 14  8  1  0  0  0  0
 15  4  1  0  0  0  0
 16  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  2  0  0  0  0
 19 11  1  0  0  0  0
 20 23  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  2  0  0  0  0
 23 18  1  0  0  0  0
 11  6  2  0  0  0  0
 22 21  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
>  <Mol_ID> (645)
645

>  <Formula> (645)
C18H18N2O3

>  <MolWeight> (645)
310.34712

>  <Cat> (645)
P3638

>  <Name> (645)
WAY-389228

>  <Synonyms> (645)
N/A

>  <Target> (645)
others

>  <Form> (645)
free base

>  <CAS> (645)
300860-39-3

>  <URL> (645)
N/A

$$$$
WAY-389891
csChFnd80/10082116052D

 30 32  0  0  0  0  0  0  0  0999 V2000
   10.7292   -6.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   -6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0792   -4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000   -5.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.8875  -10.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5042   -7.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8500   -7.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1000   -9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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>  <Mol_ID> (646)
646

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>  <Synonyms> (646)
N/A

>  <Target> (646)
Rtt109

>  <Form> (646)
free base

>  <CAS> (646)
327091-55-4

>  <URL> (646)
N/A

$$$$
WAY-302914
csChFnd80/10082116052D

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>  <Mol_ID> (647)
647

>  <Formula> (647)
C22H25N3O2

>  <MolWeight> (647)
363.4528

>  <Cat> (647)
P3576

>  <Name> (647)
WAY-302914

>  <Synonyms> (647)
N/A

>  <Target> (647)
others

>  <Form> (647)
free base

>  <CAS> (647)
313378-68-6

>  <URL> (647)
N/A

$$$$
WAY-303376
csChFnd80/10082116052D

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>  <Mol_ID> (648)
648

>  <Formula> (648)
C23H23N5O2

>  <MolWeight> (648)
401.46102

>  <Cat> (648)
P3577

>  <Name> (648)
WAY-303376

>  <Synonyms> (648)
N/A

>  <Target> (648)
EZH2

>  <Form> (648)
free base

>  <CAS> (648)
500270-56-4

>  <URL> (648)
N/A

$$$$
WAY-303382
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (649)
649

>  <Formula> (649)
C19H21N5O

>  <MolWeight> (649)
335.40294

>  <Cat> (649)
P3578

>  <Name> (649)
WAY-303382

>  <Synonyms> (649)
N/A

>  <Target> (649)
STAT

>  <Form> (649)
free base

>  <CAS> (649)
487035-73-4

>  <URL> (649)
N/A

$$$$
WAY-303388
csChFnd80/10082116052D

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 15  7  2  0  0  0  0
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M  END
>  <Mol_ID> (650)
650

>  <Formula> (650)
C14H12N4O4

>  <MolWeight> (650)
300.26948

>  <Cat> (650)
P3579

>  <Name> (650)
WAY-303388

>  <Synonyms> (650)
N/A

>  <Target> (650)
EZH2

>  <Form> (650)
free base

>  <CAS> (650)
499210-92-3

>  <URL> (650)
N/A

$$$$
WAY-304388
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.3266   -2.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1236   -2.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236   -2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0266   -2.9752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0236   -1.9342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4266   -1.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7326    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2076   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3494    2.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8744    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3114    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7296   -1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  1  2  0  0  0  0
  2  6  2  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  0  0  0  0
 25  7  1  0  0  0  0
  5 24  1  0  0  0  0
 25 12  1  0  0  0  0
  8  9  2  0  0  0  0
 13  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 13  2  0  0  0  0
 10 12  2  0  0  0  0
 12 11  1  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 17 15  1  0  0  0  0
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 21 17  2  0  0  0  0
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 19 21  1  0  0  0  0
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 13 22  1  0  0  0  0
 22 14  1  0  0  0  0
 14 23  2  0  0  0  0
 25 24  2  0  0  0  0
M  END
>  <Mol_ID> (651)
651

>  <Formula> (651)
C21H17N3O

>  <MolWeight> (651)
327.37918

>  <Cat> (651)
P3580

>  <Name> (651)
WAY-304388

>  <Synonyms> (651)
N/A

>  <Target> (651)
sirtuin,histone acetyl transferase

>  <Form> (651)
free base

>  <CAS> (651)
305357-89-5

>  <URL> (651)
N/A

$$$$
WAY-304405
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2103    0.6724    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4414    0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.3241    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5138   -0.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0621    1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  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
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  2  0  0  0  0
  5  9  1  0  0  0  0
 16 19  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (652)
652

>  <Formula> (652)
C19H19NO2

>  <MolWeight> (652)
293.35966

>  <Cat> (652)
P3581

>  <Name> (652)
WAY-304405

>  <Synonyms> (652)
N/A

>  <Target> (652)
STAT,Plasmodium falciparum Equilibrative N

>  <Form> (652)
free base

>  <CAS> (652)
1351505-59-3

>  <URL> (652)
N/A

$$$$
WAY-304544
csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.1655    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.2034    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3759   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -0.8276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2897   -0.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -0.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.1414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.9138    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9138    2.6207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  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  1  0  0  0  0
  6 12  2  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 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
 16 20  2  0  0  0  0
  7 10  1  0  0  0  0
  9 13  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
>  <Mol_ID> (653)
653

>  <Formula> (653)
C15H16N2O3

>  <MolWeight> (653)
272.29914

>  <Cat> (653)
P3582

>  <Name> (653)
WAY-304544

>  <Synonyms> (653)
N/A

>  <Target> (653)
sirtuin

>  <Form> (653)
free base

>  <CAS> (653)
347362-65-6

>  <URL> (653)
N/A

$$$$
WAY-304671
csChFnd80/10082116052D

 22 25  0  0  0  0  0  0  0  0999 V2000
    2.2522   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626   -0.9585    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626   -1.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626    0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9626    0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9833   -0.2965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764   -0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2143    1.1587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    0.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591   -0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512    0.4070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2512   -1.0206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
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  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
  5  7  2  0  0  0  0
  8 10  1  0  0  0  0
 17 18  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (654)
654

>  <Formula> (654)
C16H9ClN2OS2

>  <MolWeight> (654)
344.83846

>  <Cat> (654)
P3583

>  <Name> (654)
WAY-304671

>  <Synonyms> (654)
N/A

>  <Target> (654)
SMYD3

>  <Form> (654)
free base

>  <CAS> (654)
330837-95-1

>  <URL> (654)
N/A

$$$$
WAY-305238
csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.4414   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3862   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2655    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3862    1.9000    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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  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 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
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 19 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  9 10  1  0  0  0  0
 12 16  1  0  0  0  0
 14 18  2  0  0  0  0
M  END
>  <Mol_ID> (655)
655

>  <Formula> (655)
C18H19N3O4S

>  <MolWeight> (655)
373.42616

>  <Cat> (655)
P3584

>  <Name> (655)
WAY-305238

>  <Synonyms> (655)
N/A

>  <Target> (655)
parp1

>  <Form> (655)
free base

>  <CAS> (655)
442648-52-4

>  <URL> (655)
N/A

$$$$
WAY-305341
csChFnd80/10082116052D

 22 23  0  0  0  0  0  0  0  0999 V2000
   -2.6343   -0.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -1.8207    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7929   -1.2862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3170    0.2138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5964   -1.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1895    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (656)
656

>  <Formula> (656)
C15H15N3O3S

>  <MolWeight> (656)
317.3629

>  <Cat> (656)
P3585

>  <Name> (656)
WAY-305341

>  <Synonyms> (656)
N/A

>  <Target> (656)
HDAC

>  <Form> (656)
free base

>  <CAS> (656)
353781-42-7

>  <URL> (656)
N/A

$$$$
WAY-383515
csChFnd80/10082116052D

 23 26  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  2  0  0  0  0
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 14 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 10 13  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (657)
657

>  <Formula> (657)
C17H18N2O3S

>  <MolWeight> (657)
330.40142

>  <Cat> (657)
P3636

>  <Name> (657)
WAY-383515

>  <Synonyms> (657)
N/A

>  <Target> (657)
BRD4

>  <Form> (657)
free base

>  <CAS> (657)
304685-40-3

>  <URL> (657)
N/A

$$$$
WAY-305857
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.1826    1.4967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  4  1  0  0  0  0
  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
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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
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  0  0  0  0
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 13 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
  5  7  2  0  0  0  0
  9 13  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (658)
658

>  <Formula> (658)
C15H24N6O2

>  <MolWeight> (658)
320.39006

>  <Cat> (658)
P3586

>  <Name> (658)
WAY-305857

>  <Synonyms> (658)
N/A

>  <Target> (658)
PKC¦Â, PARP-1 

>  <Form> (658)
free base

>  <CAS> (658)
313471-52-2

>  <URL> (658)
N/A

$$$$
WAY-324197
csChFnd80/10082116052D

 24 28  0  0  0  0  0  0  0  0999 V2000
    4.8875   -6.4500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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 10  7  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 15  1  0  0  0  0
 15  7  1  0  0  0  0
 16  6  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
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 20 13  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
 24 22  2  0  0  0  0
  8 10  1  0  0  0  0
  3  5  1  0  0  0  0
  8 14  1  0  0  0  0
 18 16  2  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (659)
659

>  <Formula> (659)
C21H22N2O

>  <MolWeight> (659)
318.41218

>  <Cat> (659)
P3613

>  <Name> (659)
WAY-324197

>  <Synonyms> (659)
N/A

>  <Target> (659)
SIRT2

>  <Form> (659)
free base

>  <CAS> (659)
1005095-06-6

>  <URL> (659)
N/A

$$$$
WAY-385602
csChFnd80/10082116052D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  2  0  0  0  0
 10  3  2  0  0  0  0
 11 13  1  0  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  2  0  0  0  0
 15  8  2  0  0  0  0
 16  7  1  0  0  0  0
 17  7  2  0  0  0  0
 18  5  1  0  0  0  0
 19 21  2  0  0  0  0
 20 14  1  0  0  0  0
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 27 24  2  0  0  0  0
 28 27  1  0  0  0  0
  4  5  1  0  0  0  0
 22 19  1  0  0  0  0
 25 28  2  0  0  0  0
M  END
>  <Mol_ID> (660)
660

>  <Formula> (660)
C20H19ClFN3O3

>  <MolWeight> (660)
403.8345632

>  <Cat> (660)
P3637

>  <Name> (660)
WAY-385602

>  <Synonyms> (660)
N/A

>  <Target> (660)
fungal histone acetyltransferase Rtt109

>  <Form> (660)
free base

>  <CAS> (660)
722478-59-3

>  <URL> (660)
N/A

$$$$
WL-164379
csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -3.5157   -3.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5405   -1.8602    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
  2  6  1  0  0  0  0
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  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
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 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
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 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
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 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
>  <Mol_ID> (661)
661

>  <Formula> (661)
C19H21N3OS2

>  <MolWeight> (661)
371.51954

>  <Cat> (661)
P3676

>  <Name> (661)
WL-164379

>  <Synonyms> (661)
N/A

>  <Target> (661)
STAT3

>  <Form> (661)
free base

>  <CAS> (661)
311762-65-9

>  <URL> (661)
N/A

$$$$
WAY-308264
csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.7414    0.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1103   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6483   -0.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  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
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  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
  8 13  2  0  0  0  0
  9 11  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (662)
662

>  <Formula> (662)
C14H14N4O2S

>  <MolWeight> (662)
302.35156

>  <Cat> (662)
P3587

>  <Name> (662)
WAY-308264

>  <Synonyms> (662)
N/A

>  <Target> (662)
histone acetyltransferase

>  <Form> (662)
free base

>  <CAS> (662)
364624-08-8

>  <URL> (662)
N/A

$$$$
WAY-309060
csChFnd80/10082116052D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.9343    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550    0.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1550    2.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4550   -1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7140    1.3004    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  2  0  0  0  0
  3  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
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
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 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
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 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (663)
663

>  <Formula> (663)
C13H14N2O4

>  <MolWeight> (663)
262.26126

>  <Cat> (663)
P3588

>  <Name> (663)
WAY-309060

>  <Synonyms> (663)
N/A

>  <Target> (663)
BRD4

>  <Form> (663)
free base

>  <CAS> (663)
309951-18-6

>  <URL> (663)
N/A

$$$$
WAY-309229-A
csChFnd80/10082116052D

 19 21  0  0  0  0  0  0  0  0999 V2000
   -0.7172   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069   -0.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7138   -1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1517   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0034   -1.8276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1483   -1.4207    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
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
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 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7  9  1  0  0  0  0
  8 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (664)
664

>  <Formula> (664)
C14H13N3OS

>  <MolWeight> (664)
271.33752

>  <Cat> (664)
P3589

>  <Name> (664)
WAY-309229-A

>  <Synonyms> (664)
N/A

>  <Target> (664)
EGFR

>  <Form> (664)
free base

>  <CAS> (664)
799800-65-0

>  <URL> (664)
N/A

$$$$
WAY-352571
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -5.1125   -1.6167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9000    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3417    4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4875    4.0917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8292    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2958   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292   -0.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.9917    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2333   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -2.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0958    2.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.4667   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3792   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5917   -1.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11 19  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 10  2  0  0  0  0
 15  4  1  0  0  0  0
 16 15  2  0  0  0  0
 17  8  1  0  0  0  0
 18 21  2  0  0  0  0
 19 17  2  0  0  0  0
 20  7  2  0  0  0  0
 21 20  1  0  0  0  0
 22 14  1  0  0  0  0
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 25 26  2  0  0  0  0
 26 17  1  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 14 18  1  0  0  0  0
 11 24  2  0  0  0  0
  4  2  1  0  0  0  0
 16  9  1  0  0  0  0
M  END
>  <Mol_ID> (665)
665

>  <Formula> (665)
C19H17N3O4S2

>  <MolWeight> (665)
415.48598

>  <Cat> (665)
P3628

>  <Name> (665)
WAY-352571

>  <Synonyms> (665)
N/A

>  <Target> (665)
DNA methyltransferase 3A,hsp90

>  <Form> (665)
free base

>  <CAS> (665)
505054-90-0

>  <URL> (665)
N/A

$$$$
WAY-353519
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.8042  -11.0042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -8.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -7.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1250   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4417   -9.1250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7167  -10.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6417   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2625  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4375   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6917   -9.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125  -10.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8792  -11.5417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3375  -11.9250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (666)
666

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C20H21N3O3S2

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WAY-353519

>  <Synonyms> (666)
N/A

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sirtuin

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free base

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690247-68-8

>  <URL> (666)
N/A

$$$$
WAY-354574
csChFnd80/10082116052D

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 16  2  1  0  0  0  0
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M  END
>  <Mol_ID> (667)
667

>  <Formula> (667)
C20H23ClN2O3S

>  <MolWeight> (667)
406.92622

>  <Cat> (667)
P3630

>  <Name> (667)
WAY-354574

>  <Synonyms> (667)
N/A

>  <Target> (667)
SIRT2

>  <Form> (667)
free base

>  <CAS> (667)
851873-40-0

>  <URL> (667)
N/A

$$$$
WAY-354875
csChFnd80/10082116052D

 25 29  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (668)
668

>  <Formula> (668)
C17H9FN4O2S

>  <MolWeight> (668)
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>  <Cat> (668)
P3631

>  <Name> (668)
WAY-354875

>  <Synonyms> (668)
N/A

>  <Target> (668)
SIRT1

>  <Form> (668)
free base

>  <CAS> (668)
720672-18-4

>  <URL> (668)
N/A

$$$$
WAY-358008
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (669)
669

>  <Formula> (669)
C17H15N3O3S

>  <MolWeight> (669)
341.3843

>  <Cat> (669)
P3632

>  <Name> (669)
WAY-358008

>  <Synonyms> (669)
N/A

>  <Target> (669)
microRNA

>  <Form> (669)
free base

>  <CAS> (669)
303018-40-8

>  <URL> (669)
N/A

$$$$
WAY-359061
csChFnd80/10082116052D

 20 21  0  0  0  0  0  0  0  0999 V2000
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 12  9  2  0  0  0  0
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M  END
>  <Mol_ID> (670)
670

>  <Formula> (670)
C15H13ClN2OS

>  <MolWeight> (670)
304.79452

>  <Cat> (670)
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>  <Name> (670)
WAY-359061

>  <Synonyms> (670)
N/A

>  <Target> (670)
microRNA

>  <Form> (670)
free base

>  <CAS> (670)
307509-59-7

>  <URL> (670)
N/A

$$$$
WAY-380064-A
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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671

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N/A

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PRMT5

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free base

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380192-76-7

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N/A

$$$$
WAY-382052
csChFnd80/10082116052D

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672

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C17H18N2O

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266.33762

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>  <Synonyms> (672)
N/A

>  <Target> (672)
microRNA

>  <Form> (672)
free base

>  <CAS> (672)
536713-36-7

>  <URL> (672)
N/A

$$$$
WAY-616361
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (673)
673

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>  <MolWeight> (673)
308.33454

>  <Cat> (673)
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>  <Synonyms> (673)
N/A

>  <Target> (673)
ARTD3,PARP-1

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free base

>  <CAS> (673)
730949-09-4

>  <URL> (673)
N/A

$$$$
WL-231219
csChFnd80/10082116052D

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674

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N/A

>  <Target> (674)
HDAC

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free base

>  <CAS> (674)
842955-63-9

>  <URL> (674)
N/A

$$$$
WAY-623944
csChFnd80/10082116052D

 31 35  0  0  0  0  0  0  0  0999 V2000
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675

>  <Formula> (675)
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>  <MolWeight> (675)
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>  <Cat> (675)
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>  <Name> (675)
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>  <Synonyms> (675)
N/A

>  <Target> (675)
microRNA

>  <Form> (675)
free base

>  <CAS> (675)
438599-31-6

>  <URL> (675)
N/A

$$$$
WAY-643116
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (676)
676

>  <Formula> (676)
C18H20N6

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320.3916

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P3669

>  <Name> (676)
WAY-643116

>  <Synonyms> (676)
N/A

>  <Target> (676)
microRNA

>  <Form> (676)
free base

>  <CAS> (676)
850020-01-8

>  <URL> (676)
N/A

$$$$
WAY-334681-A
csChFnd80/10082116052D

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 15  9  1  0  0  0  0
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M  END
>  <Mol_ID> (677)
677

>  <Formula> (677)
C17H15N5OS

>  <MolWeight> (677)
337.3989

>  <Cat> (677)
P3620

>  <Name> (677)
WAY-334681-A

>  <Synonyms> (677)
N/A

>  <Target> (677)
STAT3

>  <Form> (677)
free base

>  <CAS> (677)
736950-05-3

>  <URL> (677)
N/A

$$$$
WAY-334725
csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
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 11  4  1  0  0  0  0
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 18 15  1  0  0  0  0
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 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (678)
678

>  <Formula> (678)
C16H18N2O2

>  <MolWeight> (678)
270.32632

>  <Cat> (678)
P3621

>  <Name> (678)
WAY-334725

>  <Synonyms> (678)
N/A

>  <Target> (678)
microRNA

>  <Form> (678)
free base

>  <CAS> (678)
742116-35-4

>  <URL> (678)
N/A

$$$$
WAY-625138
csChFnd80/10082116052D

 29 31  0  0  0  0  0  0  0  0999 V2000
   -1.1583   -1.9500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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 10 13  1  0  0  0  0
 11  6  1  0  0  0  0
 12  6  2  0  0  0  0
 13  8  2  0  0  0  0
 14 21  1  0  0  0  0
 15  7  1  0  0  0  0
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 17  3  1  0  0  0  0
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 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
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 18 15  2  0  0  0  0
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M  END
>  <Mol_ID> (679)
679

>  <Formula> (679)
C21H30N2O5S

>  <MolWeight> (679)
422.5383

>  <Cat> (679)
P3658

>  <Name> (679)
WAY-625138

>  <Synonyms> (679)
N/A

>  <Target> (679)
microRNA

>  <Form> (679)
free base

>  <CAS> (679)
756865-61-9

>  <URL> (679)
N/A

$$$$
WAY-273429
csChFnd80/10082116052D

 17 19  0  0  0  0  0  0  0  0999 V2000
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 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
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 10  6  1  0  0  0  0
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M  END
>  <Mol_ID> (680)
680

>  <Formula> (680)
C11H8BrN5

>  <MolWeight> (680)
290.11872

>  <Cat> (680)
P3557

>  <Name> (680)
WAY-273429

>  <Synonyms> (680)
N/A

>  <Target> (680)
AMPK

>  <Form> (680)
free base

>  <CAS> (680)
525607-71-0

>  <URL> (680)
N/A

$$$$
WAY-273431
csChFnd80/10082116052D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -3.1500    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (681)
681

>  <Formula> (681)
C11H8FN5

>  <MolWeight> (681)
229.2131232

>  <Cat> (681)
P3558

>  <Name> (681)
WAY-273431

>  <Synonyms> (681)
N/A

>  <Target> (681)
AMPK

>  <Form> (681)
free base

>  <CAS> (681)
525608-36-0

>  <URL> (681)
N/A

$$$$
WAY-277306
csChFnd80/10082116052D

 24 28  0  0  0  0  0  0  0  0999 V2000
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 22 24  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (682)
682

>  <Formula> (682)
C19H15N5

>  <MolWeight> (682)
313.3559

>  <Cat> (682)
P3559

>  <Name> (682)
WAY-277306

>  <Synonyms> (682)
N/A

>  <Target> (682)
EZH2

>  <Form> (682)
free base

>  <CAS> (682)
763096-21-5

>  <URL> (682)
N/A

$$$$
WAY-335492
csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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 14  7  2  0  0  0  0
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 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
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M  END
>  <Mol_ID> (683)
683

>  <Formula> (683)
C20H27FN2O2

>  <MolWeight> (683)
346.4389832

>  <Cat> (683)
P3622

>  <Name> (683)
WAY-335492

>  <Synonyms> (683)
N/A

>  <Target> (683)
microRNA

>  <Form> (683)
free base

>  <CAS> (683)
786725-13-1

>  <URL> (683)
N/A

$$$$
WAY-629450-A
csChFnd80/10082116052D

 18 20  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (684)
684

>  <Formula> (684)
C16H17NO

>  <MolWeight> (684)
239.31228

>  <Cat> (684)
P3659

>  <Name> (684)
WAY-629450-A

>  <Synonyms> (684)
N/A

>  <Target> (684)
HDAC

>  <Form> (684)
free base

>  <CAS> (684)
851901-67-2

>  <URL> (684)
N/A

$$$$
CL-224747
csChFnd80/10082116052D

 12 13  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (685)
685

>  <Formula> (685)
C9H8N2O

>  <MolWeight> (685)
160.17262

>  <Cat> (685)
P3539

>  <Name> (685)
CL-224747

>  <Synonyms> (685)
N/A

>  <Target> (685)
PARP

>  <Form> (685)
free base

>  <CAS> (685)
802981-45-9

>  <URL> (685)
N/A

$$$$
WAY-339491
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
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 10  4  2  0  0  0  0
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 12  7  1  0  0  0  0
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 15  5  2  0  0  0  0
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M  END
>  <Mol_ID> (686)
686

>  <Formula> (686)
C21H17N3O3S

>  <MolWeight> (686)
391.44298

>  <Cat> (686)
P3624

>  <Name> (686)
WAY-339491

>  <Synonyms> (686)
N/A

>  <Target> (686)
histone acetyl transferase,sirtuin

>  <Form> (686)
free base

>  <CAS> (686)
863589-21-3

>  <URL> (686)
N/A

$$$$
WAY-339495
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
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   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7250    2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9 13  1  0  0  0  0
 10  1  1  0  0  0  0
 11  6  2  0  0  0  0
 12  5  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 15  7  2  0  0  0  0
 16  7  1  0  0  0  0
 17  4  2  0  0  0  0
 18 15  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  2  0  0  0  0
 22 19  2  0  0  0  0
 23 11  1  0  0  0  0
 24 20  2  0  0  0  0
 25 22  1  0  0  0  0
 26 16  1  0  0  0  0
 27 18  1  0  0  0  0
 28 21  1  0  0  0  0
  6  8  1  0  0  0  0
 13 25  2  0  0  0  0
 28 23  2  0  0  0  0
 24 15  1  0  0  0  0
M  END
>  <Mol_ID> (687)
687

>  <Formula> (687)
C21H17N3O3S

>  <MolWeight> (687)
391.44298

>  <Cat> (687)
P3625

>  <Name> (687)
WAY-339495

>  <Synonyms> (687)
N/A

>  <Target> (687)
histone acetyl transferase,sirtuin

>  <Form> (687)
free base

>  <CAS> (687)
863589-28-0

>  <URL> (687)
N/A

$$$$
WAY-339500
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.2214    6.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6650    7.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3968    6.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6006    5.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2757    7.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0111    7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0636    8.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026    9.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2343    8.6648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    6.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7157    6.5256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7160    8.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4256    7.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4245    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2069    6.6858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    7.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2068    8.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    7.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9051    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7274    6.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1697    7.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7848    7.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9554    7.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7112    8.5664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5334    8.5382    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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  6  8  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  2  0  0  0  0
 16 15  2  0  0  0  0
 15 12  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 16  1  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
 25 11  1  0  0  0  0
  5 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (688)
688

>  <Formula> (688)
C21H17N3O3S

>  <MolWeight> (688)
391.44298

>  <Cat> (688)
P3626

>  <Name> (688)
WAY-339500

>  <Synonyms> (688)
N/A

>  <Target> (688)
histone acetyl transferase,sirtuin

>  <Form> (688)
free base

>  <CAS> (688)
863589-44-0

>  <URL> (688)
N/A

$$$$
WAY-339503
csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -4.5708    6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3333    6.3375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6583    7.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    6.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4708    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    4.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    6.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    2.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8708    5.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.3333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1583    6.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8833    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    6.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    1.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1042    7.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625    1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6917    8.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  3  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  5  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 19  6  2  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 10  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 16  1  0  0  0  0
 26 19  1  0  0  0  0
  4  6  1  0  0  0  0
 11 23  2  0  0  0  0
 26 22  2  0  0  0  0
 15 24  1  0  0  0  0
M  END
>  <Mol_ID> (689)
689

>  <Formula> (689)
C20H15N3O2S

>  <MolWeight> (689)
361.417

>  <Cat> (689)
P3627

>  <Name> (689)
WAY-339503

>  <Synonyms> (689)
N/A

>  <Target> (689)
histone acetyl transferase,sirtuin

>  <Form> (689)
free base

>  <CAS> (689)
863589-52-0

>  <URL> (689)
N/A

$$$$
WAY-613308
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.6500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0625   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708   -1.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    0.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9167    1.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4917   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958   -0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7958    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 13  1  0  0  0  0
 10  2  2  0  0  0  0
 11  6  2  0  0  0  0
 12  4  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19  7  1  0  0  0  0
 20 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 19  2  0  0  0  0
  7  3  2  0  0  0  0
  9 14  2  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (690)
690

>  <Formula> (690)
C18H14O4

>  <MolWeight> (690)
294.30136

>  <Cat> (690)
P3651

>  <Name> (690)
WAY-613308

>  <Synonyms> (690)
N/A

>  <Target> (690)
HDAC

>  <Form> (690)
free base

>  <CAS> (690)
503040-22-0

>  <URL> (690)
N/A

$$$$
WAY-613419
csChFnd80/10082116052D

 13 15  0  0  0  0  0  0  0  0999 V2000
   -1.1048   -0.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2262    0.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290   -1.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    0.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1228   -0.7175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    1.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297   -1.9520    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703   -2.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2290   -0.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5641   -0.5140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1848    1.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    2.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.8170    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
  6 12  2  0  0  0  0
 10 13  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (691)
691

>  <Formula> (691)
C9H8N2OS

>  <MolWeight> (691)
192.23762

>  <Cat> (691)
P3652

>  <Name> (691)
WAY-613419

>  <Synonyms> (691)
N/A

>  <Target> (691)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (691)
free base

>  <CAS> (691)
14346-25-9

>  <URL> (691)
N/A

$$$$
WAY-630921
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.0750   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -2.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -3.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    0.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    2.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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PARP

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free base

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743451-47-0

>  <URL> (692)
N/A

$$$$
WAY-631668
csChFnd80/10082116052D

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>  <Mol_ID> (693)
693

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WAY-631668

>  <Synonyms> (693)
N/A

>  <Target> (693)
DOT1L

>  <Form> (693)
free base

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736189-79-0

>  <URL> (693)
N/A

$$$$
WAY-631878
csChFnd80/10082116052D

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694

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>  <MolWeight> (694)
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>  <Name> (694)
WAY-631878

>  <Synonyms> (694)
N/A

>  <Target> (694)
BET

>  <Form> (694)
free base

>  <CAS> (694)
568567-43-1

>  <URL> (694)
N/A

$$$$
WAY-650876
csChFnd80/10082116052D

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>  <Mol_ID> (695)
695

>  <Formula> (695)
C13H11N3O3S

>  <MolWeight> (695)
289.30974

>  <Cat> (695)
P3670

>  <Name> (695)
WAY-650876

>  <Synonyms> (695)
N/A

>  <Target> (695)
HDAC6

>  <Form> (695)
free base

>  <CAS> (695)
848065-95-2

>  <URL> (695)
N/A

$$$$
WAY-270360
csChFnd80/10082116052D

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>  <Mol_ID> (696)
696

>  <Formula> (696)
C22H19N3O3

>  <MolWeight> (696)
373.40456

>  <Cat> (696)
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>  <Name> (696)
WAY-270360

>  <Synonyms> (696)
N/A

>  <Target> (696)
histone acetyl transferase,sirtuin

>  <Form> (696)
free base

>  <CAS> (696)
476633-98-4

>  <URL> (696)
N/A

$$$$
WAY-270374
csChFnd80/10082116052D

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    0.0500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    2.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292    0.3208    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    2.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9125    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  2  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16  6  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 21  1  0  0  0  0
 20 11  1  0  0  0  0
 21 12  2  0  0  0  0
 22 15  1  0  0  0  0
 23 22  1  0  0  0  0
  6  2  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (697)
697

>  <Formula> (697)
C15H14F2N2O3S

>  <MolWeight> (697)
340.3450664

>  <Cat> (697)
P3550

>  <Name> (697)
WAY-270374

>  <Synonyms> (697)
N/A

>  <Target> (697)
microRNA

>  <Form> (697)
free base

>  <CAS> (697)
476643-66-0

>  <URL> (697)
N/A

$$$$
WAY-270603
csChFnd80/10082116052D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -3.4125    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    1.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7333    2.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1333    0.7208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292    1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    2.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.2208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9708    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500    0.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    2.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500    1.5208    0.0000 C   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
  4 11  1  0  0  0  0
  5  4  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  2  0  0  0  0
  8 12  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11 18  1  0  0  0  0
 12  5  2  0  0  0  0
 13  5  1  0  0  0  0
 14  1  1  0  0  0  0
 15  4  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 23  1  0  0  0  0
 19  6  1  0  0  0  0
 20  8  1  0  0  0  0
 21  7  1  0  0  0  0
 22 16  1  0  0  0  0
 23 17  2  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 21  1  0  0  0  0
 29 25  2  0  0  0  0
 30 24  2  0  0  0  0
 10  9  2  0  0  0  0
 22 18  2  0  0  0  0
 29 30  1  0  0  0  0
  8  6  2  0  0  0  0
M  END
>  <Mol_ID> (698)
698

>  <Formula> (698)
C23H21N3O4

>  <MolWeight> (698)
403.43054

>  <Cat> (698)
P3552

>  <Name> (698)
WAY-270603

>  <Synonyms> (698)
N/A

>  <Target> (698)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (698)
free base

>  <CAS> (698)
303141-65-3

>  <URL> (698)
N/A

$$$$
WAY-601310
csChFnd80/10082116052D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1436    0.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436    1.2150    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5134   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006   -0.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    0.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4576    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -1.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9256    1.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1436   -1.5990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244   -0.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 12  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 15 11  2  0  0  0  0
 14 10  2  0  0  0  0
 13  9  1  0  0  0  0
  6 12  2  0  0  0  0
 11  5  1  0  0  0  0
 10  5  1  0  0  0  0
  9  4  2  0  0  0  0
  3  8  2  0  0  0  0
  7  3  1  0  0  0  0
  6  2  1  0  0  0  0
  5  2  2  0  0  0  0
  4  1  1  0  0  0  0
  3  1  1  0  0  0  0
  2  1  1  0  0  0  0
M  END
>  <Mol_ID> (699)
699

>  <Formula> (699)
C11H9N3O

>  <MolWeight> (699)
199.20866

>  <Cat> (699)
P3643

>  <Name> (699)
WAY-601310

>  <Synonyms> (699)
N/A

>  <Target> (699)
PARP

>  <Form> (699)
free base

>  <CAS> (699)
25468-50-2

>  <URL> (699)
N/A

$$$$
WAY-601411
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.9792    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    2.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4625    3.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    3.7458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    3.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0875   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -3.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083   -3.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6792    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -3.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -2.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    0.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -3.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8542   -4.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    2.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2583    3.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  1  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 12 16  1  0  0  0  0
 13  7  2  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18  2  1  0  0  0  0
 19  8  1  0  0  0  0
 20 10  1  0  0  0  0
 21 11  1  0  0  0  0
 22  5  1  0  0  0  0
 23  9  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27 21  1  0  0  0  0
 28 20  1  0  0  0  0
 29 18  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
  5  4  2  0  0  0  0
 25 16  1  0  0  0  0
 31 30  1  0  0  0  0
  8 10  2  0  0  0  0
M  END
>  <Mol_ID> (700)
700

>  <Formula> (700)
C23H26N4O4

>  <MolWeight> (700)
422.47694

>  <Cat> (700)
P3644

>  <Name> (700)
WAY-601411

>  <Synonyms> (700)
N/A

>  <Target> (700)
HAT,sirtuin

>  <Form> (700)
free base

>  <CAS> (700)
717120-17-7

>  <URL> (700)
N/A

$$$$
WAY-601037-A
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    3.9000   -1.1292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3792   -1.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -0.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3042    1.6708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6000    0.2708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4000   -0.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -1.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7917    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042    3.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8542    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6792   -2.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0542   -3.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5375   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    3.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    4.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    4.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6  1  1  0  0  0  0
  7 15  1  0  0  0  0
  8  6  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14 16  1  0  0  0  0
 15  8  1  0  0  0  0
 16  7  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19  9  1  0  0  0  0
 20 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 11  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  2  0  0  0  0
 25 24  1  0  0  0  0
  5  3  1  0  0  0  0
 21 12  2  0  0  0  0
 20 10  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
>  <Mol_ID> (701)
701

>  <Formula> (701)
C22H26N2O

>  <MolWeight> (701)
334.45464

>  <Cat> (701)
P3641

>  <Name> (701)
WAY-601037

>  <Synonyms> (701)
N/A

>  <Target> (701)
DNA Methyltransferase 1

>  <Form> (701)
free base

>  <CAS> (701)
300590-63-0

>  <URL> (701)
N/A

$$$$
WAY-601116
csChFnd80/10082116052D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.0125    0.0750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.7458    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7667    1.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0125    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (702)
702

>  <Formula> (702)
C23H18N2O4

>  <MolWeight> (702)
386.40002

>  <Cat> (702)
P3642

>  <Name> (702)
WAY-601116

>  <Synonyms> (702)
N/A

>  <Target> (702)
microRNA

>  <Form> (702)
free base

>  <CAS> (702)
353763-50-5

>  <URL> (702)
N/A

$$$$
WAY-601673
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (703)
703

>  <Formula> (703)
C20H26ClN3O

>  <MolWeight> (703)
359.89294

>  <Cat> (703)
P3645

>  <Name> (703)
WAY-601673

>  <Synonyms> (703)
N/A

>  <Target> (703)
HIF PHD,Prolylhydroxylase

>  <Form> (703)
free base

>  <CAS> (703)
380192-95-0

>  <URL> (703)
N/A

$$$$
WAY-615693
csChFnd80/10082116052D

 26 30  0  0  0  0  0  0  0  0999 V2000
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 11  8  2  0  0  0  0
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M  END
>  <Mol_ID> (704)
704

>  <Formula> (704)
C21H24N4S

>  <MolWeight> (704)
364.50706

>  <Cat> (704)
P3653

>  <Name> (704)
WAY-615693

>  <Synonyms> (704)
N/A

>  <Target> (704)
MLL protein and menin interaction

>  <Form> (704)
free base

>  <CAS> (704)
568575-51-9

>  <URL> (704)
N/A

$$$$
WAY-632889
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (705)
705

>  <Formula> (705)
C18H11BrN2O4

>  <MolWeight> (705)
399.19494

>  <Cat> (705)
P3663

>  <Name> (705)
WAY-632889

>  <Synonyms> (705)
N/A

>  <Target> (705)
microRNA

>  <Form> (705)
free base

>  <CAS> (705)
784169-89-7

>  <URL> (705)
N/A

$$$$
WAY-633558
csChFnd80/10082116052D

 21 24  0  0  0  0  0  0  0  0999 V2000
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 11  6  2  0  0  0  0
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 12  9  1  0  0  0  0
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M  END
>  <Mol_ID> (706)
706

>  <Formula> (706)
C15H15N5S

>  <MolWeight> (706)
297.3781

>  <Cat> (706)
P3664

>  <Name> (706)
WAY-633558

>  <Synonyms> (706)
N/A

>  <Target> (706)
MLL protein and menin interaction

>  <Form> (706)
free base

>  <CAS> (706)
786715-29-5

>  <URL> (706)
N/A

$$$$
WAY-652291
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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 10  2  1  0  0  0  0
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 12 13  1  0  0  0  0
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 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
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 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
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  4  6  1  0  0  0  0
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 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (707)
707

>  <Formula> (707)
C18H17N3O4

>  <MolWeight> (707)
339.34528

>  <Cat> (707)
P3671

>  <Name> (707)
WAY-652291

>  <Synonyms> (707)
N/A

>  <Target> (707)
BET Bromodomain

>  <Form> (707)
free base

>  <CAS> (707)
854137-39-6

>  <URL> (707)
N/A

$$$$
WAY-652941
csChFnd80/10082116052D

 28 30  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  1  1  0  0  0  0
 10 14  1  0  0  0  0
 11  1  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14 19  1  0  0  0  0
 15  5  2  0  0  0  0
 16 10  2  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22  9  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 22  1  0  0  0  0
 26 22  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  2  0  0  0  0
 19 21  1  0  0  0  0
  5  4  1  0  0  0  0
 27 24  2  0  0  0  0
M  END
>  <Mol_ID> (708)
708

>  <Formula> (708)
C19H20N4O4S

>  <MolWeight> (708)
400.4515

>  <Cat> (708)
P3672

>  <Name> (708)
WAY-652941

>  <Synonyms> (708)
N/A

>  <Target> (708)
PARP,Rac1

>  <Form> (708)
free base

>  <CAS> (708)
854022-49-4

>  <URL> (708)
N/A

$$$$
WAY-271933
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9  3  1  0  0  0  0
 10  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
 15  1  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 20  2  0  0  0  0
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 20 12  1  0  0  0  0
 21 18  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
  5  4  1  0  0  0  0
 21 16  2  0  0  0  0
 23 19  1  0  0  0  0
M  END
>  <Mol_ID> (709)
709

>  <Formula> (709)
C15H15N5O2S

>  <MolWeight> (709)
329.3769

>  <Cat> (709)
P3553

>  <Name> (709)
WAY-271933

>  <Synonyms> (709)
N/A

>  <Target> (709)
DOT1L

>  <Form> (709)
free base

>  <CAS> (709)
612525-79-8

>  <URL> (709)
N/A

$$$$
WAY-272124
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
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   16.0000   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  2  0  0  0  0
  6 12  1  0  0  0  0
  7  6  1  0  0  0  0
  8 11  1  0  0  0  0
  9  2  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13  4  1  0  0  0  0
 14  7  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 18  1  0  0  0  0
 18  9  2  0  0  0  0
 19 20  1  0  0  0  0
 20 13  2  0  0  0  0
 21  6  2  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25  9  1  0  0  0  0
 26 13  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 22  1  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
  3  5  1  0  0  0  0
 16 17  2  0  0  0  0
 19 28  2  0  0  0  0
 10  8  2  0  0  0  0
M  END
>  <Mol_ID> (710)
710

>  <Formula> (710)
C24H23N3O4

>  <MolWeight> (710)
417.45712

>  <Cat> (710)
P3554

>  <Name> (710)
WAY-272124

>  <Synonyms> (710)
N/A

>  <Target> (710)
histone acetyl transferase,sirtuin

>  <Form> (710)
free base

>  <CAS> (710)
694469-31-3

>  <URL> (710)
N/A

$$$$
WAY-272172
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
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   12.9500    4.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875    1.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1125    6.4042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7292    8.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  8  2  0  0  0  0
 11 10  1  0  0  0  0
 12  6  2  0  0  0  0
 13 18  1  0  0  0  0
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 18 16  2  0  0  0  0
 19 11  1  0  0  0  0
 20 13  1  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
  4  5  1  0  0  0  0
 17 14  2  0  0  0  0
 11 13  2  0  0  0  0
M  END
>  <Mol_ID> (711)
711

>  <Formula> (711)
C17H18N2O3S

>  <MolWeight> (711)
330.40142

>  <Cat> (711)
P3555

>  <Name> (711)
WAY-272172

>  <Synonyms> (711)
N/A

>  <Target> (711)
microRNA

>  <Form> (711)
free base

>  <CAS> (711)
702650-31-5

>  <URL> (711)
N/A

$$$$
WAY-272277
csChFnd80/10082116052D

 31 34  0  0  0  0  0  0  0  0999 V2000
   11.5358    6.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7150    6.4735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9773    7.1365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9194    5.6974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3315    7.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2761    5.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5912    7.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7996    7.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4684    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7663    7.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6650    5.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2343    7.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3811    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5535    8.6580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    9.3211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   11.2815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7197   10.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4366   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4348   11.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1481   11.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484   10.4610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9281   10.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123   10.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276   11.5358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2391   10.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6219   10.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4479   10.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8930   10.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5061   11.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6773   11.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   11.6926    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
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
  7 10  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 20  2  0  0  0  0
 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  2  0  0  0  0
 30 25  1  0  0  0  0
 16 31  1  0  0  0  0
 27 15  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Mol_ID> (712)
712

>  <Formula> (712)
C24H23N3O4

>  <MolWeight> (712)
417.45712

>  <Cat> (712)
P3556

>  <Name> (712)
WAY-272277

>  <Synonyms> (712)
N/A

>  <Target> (712)
histone acetyl transferase,sirtuin

>  <Form> (712)
free base

>  <CAS> (712)
708995-11-3

>  <URL> (712)
N/A

$$$$
WAY-320144
csChFnd80/10082116052D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.3962    1.5140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1858    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4659    1.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8548    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    1.8140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6962    0.4140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245    0.7761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763    2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4134    3.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5134    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142   -0.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4142    3.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    1.9968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2755    0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3651   -0.0653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    1.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0444    0.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5659   -1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8659   -0.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0245   -2.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3038   -1.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9142   -2.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6142   -3.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1970   -1.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038   -2.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0763   -3.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038   -0.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349   -3.1653    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 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 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  2  0  0  0  0
 18 19  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (713)
713

>  <Formula> (713)
C23H21N3O4

>  <MolWeight> (713)
403.43054

>  <Cat> (713)
P3595

>  <Name> (713)
WAY-320144

>  <Synonyms> (713)
N/A

>  <Target> (713)
histone acetyl transferase,sirtuin

>  <Form> (713)
free base

>  <CAS> (713)
313275-18-2

>  <URL> (713)
N/A

$$$$
WAY-320391
csChFnd80/10082116052D

 27 31  0  0  0  0  0  0  0  0999 V2000
    2.2500   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4875   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167   -1.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -0.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -1.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792   -1.6542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -0.8167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4500   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -1.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5042   -1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0042   -2.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7792   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2792   -3.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500   -4.1167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -1.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0042   -3.2542    0.0000 C   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
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  2  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 21  1  0  0  0  0
 16  7  1  0  0  0  0
 17  5  1  0  0  0  0
 18 12  1  0  0  0  0
 19  3  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 15  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
  8  7  1  0  0  0  0
 16 15  1  0  0  0  0
  9  4  1  0  0  0  0
 14 12  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (714)
714

>  <Formula> (714)
C20H18ClN3O2S

>  <MolWeight> (714)
399.89382

>  <Cat> (714)
P3596

>  <Name> (714)
WAY-320391

>  <Synonyms> (714)
N/A

>  <Target> (714)
DNA Methyltransferase 1

>  <Form> (714)
free base

>  <CAS> (714)
488825-25-8

>  <URL> (714)
N/A

$$$$
WAY-601986
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0583    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    1.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375   -1.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    0.0833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1208   -0.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6375    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0208   -2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5333   -3.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042    2.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0833   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750    2.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  2  0  0  0  0
 12  7  2  0  0  0  0
 13  9  1  0  0  0  0
 14 17  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 16  2  0  0  0  0
 18 22  1  0  0  0  0
 19 10  1  0  0  0  0
 20 10  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 23 20  1  0  0  0  0
 24 19  2  0  0  0  0
 25 23  2  0  0  0  0
  3  4  1  0  0  0  0
 13 15  2  0  0  0  0
 18 14  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (715)
715

>  <Formula> (715)
C19H14N4OS

>  <MolWeight> (715)
346.40566

>  <Cat> (715)
P3646

>  <Name> (715)
WAY-601986

>  <Synonyms> (715)
N/A

>  <Target> (715)
PARP

>  <Form> (715)
free base

>  <CAS> (715)
375394-80-2

>  <URL> (715)
N/A

$$$$
WAY-603231
csChFnd80/10082116052D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.0583   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5458    0.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333   -0.2792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.7000    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
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  8  2  2  0  0  0  0
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 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
 13 10  3  0  0  0  0
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 15  6  2  0  0  0  0
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 12 14  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (716)
716

>  <Formula> (716)
C18H10N2O2S

>  <MolWeight> (716)
318.3492

>  <Cat> (716)
P3647

>  <Name> (716)
WAY-603231

>  <Synonyms> (716)
N/A

>  <Target> (716)
sirtuin,HAT

>  <Form> (716)
free base

>  <CAS> (716)
327104-77-8

>  <URL> (716)
N/A

$$$$
SD-57881
csChFnd80/10082116052D

 23 25  0  0  0  0  0  0  0  0999 V2000
    1.6562    0.7377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5000   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  6  1  1  0  0  0  0
 12 13  2  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
  1  2  2  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  3  4  2  0  0  0  0
 14 16  1  0  0  0  0
  8  2  1  0  0  0  0
 17 18  1  0  0  0  0
  1  9  1  0  0  0  0
 18 19  1  0  0  0  0
  9  7  2  0  0  0  0
 18 20  2  0  0  0  0
 19  7  1  0  0  0  0
  4  5  1  0  0  0  0
  2  3  1  0  0  0  0
 16 17  1  0  0  0  0
 10 11  2  0  0  0  0
 16 21  2  0  0  0  0
  5  6  2  0  0  0  0
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 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <Mol_ID> (717)
717

>  <Formula> (717)
C15H13N3O3S2

>  <MolWeight> (717)
347.41202

>  <Cat> (717)
P3544

>  <Name> (717)
SD-57881

>  <Synonyms> (717)
N/A

>  <Target> (717)
zinc metalloenzyme

>  <Form> (717)
free base

>  <CAS> (717)
349415-77-6

>  <URL> (717)
N/A

$$$$
WAY-320884
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  7  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 14  7  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  2  0  0  0  0
 17 12  2  0  0  0  0
 18  3  1  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  4  6  1  0  0  0  0
  9  8  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (718)
718

>  <Formula> (718)
C16H19N3O4S

>  <MolWeight> (718)
349.40476

>  <Cat> (718)
P3597

>  <Name> (718)
WAY-320884

>  <Synonyms> (718)
N/A

>  <Target> (718)
sirtuin 5

>  <Form> (718)
free base

>  <CAS> (718)
450356-20-4

>  <URL> (718)
N/A

$$$$
WAY-321539
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.9042   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8 10  1  0  0  0  0
  9  1  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12 15  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  2  0  0  0  0
 16 13  2  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 10  1  0  0  0  0
 21 15  1  0  0  0  0
 22 19  1  0  0  0  0
 11 12  2  0  0  0  0
  8  7  2  0  0  0  0
 17 16  1  0  0  0  0
M  END
>  <Mol_ID> (719)
719

>  <Formula> (719)
C15H15N5O2

>  <MolWeight> (719)
297.3119

>  <Cat> (719)
P3598

>  <Name> (719)
WAY-321539

>  <Synonyms> (719)
N/A

>  <Target> (719)
STAT3

>  <Form> (719)
free base

>  <CAS> (719)
332074-13-2

>  <URL> (719)
N/A

$$$$
WAY-321927
csChFnd80/10082116052D

 31 35  0  0  0  0  0  0  0  0999 V2000
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   12.5000    2.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1500    1.8708    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
  4  2  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  3  0  0  0  0
 13 17  1  0  0  0  0
 14  8  1  0  0  0  0
 15  8  1  0  0  0  0
 16 13  1  0  0  0  0
 17 15  1  0  0  0  0
 18 14  1  0  0  0  0
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 20 24  2  0  0  0  0
 21  7  1  0  0  0  0
 22 19  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26  9  1  0  0  0  0
 27 10  1  0  0  0  0
 28 20  1  0  0  0  0
 29 28  1  0  0  0  0
 30 26  2  0  0  0  0
 31 30  1  0  0  0  0
  5 10  1  0  0  0  0
  7  4  2  0  0  0  0
 31 27  2  0  0  0  0
 13 18  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
>  <Mol_ID> (720)
720

>  <Formula> (720)
C25H25N5O

>  <MolWeight> (720)
411.4989

>  <Cat> (720)
P3599

>  <Name> (720)
WAY-321927

>  <Synonyms> (720)
N/A

>  <Target> (720)
EZH2

>  <Form> (720)
free base

>  <CAS> (720)
342780-77-2

>  <URL> (720)
N/A

$$$$
WAY-321944
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6143   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4650    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9557   -0.2934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926    0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0029    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8029    0.6376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2754    1.5652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0754    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0029    2.0376    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
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  2  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  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
  7 11  1  0  0  0  0
  9 13  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (721)
721

>  <Formula> (721)
C17H16N2O3

>  <MolWeight> (721)
296.32054

>  <Cat> (721)
P3600

>  <Name> (721)
WAY-321944

>  <Synonyms> (721)
N/A

>  <Target> (721)
BRD4,Anti-infection

>  <Form> (721)
free base

>  <CAS> (721)
10001-31-7

>  <URL> (721)
N/A

$$$$
WAY-322593
csChFnd80/10082116052D

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.8681    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    4.8337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0995    4.8337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    6.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8681    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    6.2524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807   10.4475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3404    4.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3786    2.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0115    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0440    0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9  1  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  5  1  0  0  0  0
 17 11  2  0  0  0  0
 18 15  1  0  0  0  0
 19 15  2  0  0  0  0
 20 16  2  0  0  0  0
 21 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 10  4  1  0  0  0  0
  3  5  2  0  0  0  0
 17 20  1  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (722)
722

>  <Formula> (722)
C19H17ClN2O

>  <MolWeight> (722)
324.80408

>  <Cat> (722)
P3601

>  <Name> (722)
WAY-322593

>  <Synonyms> (722)
N/A

>  <Target> (722)
HIF PHD,apoptosis

>  <Form> (722)
free base

>  <CAS> (722)
501017-82-9

>  <URL> (722)
N/A

$$$$
WAY-322757
csChFnd80/10082116052D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.0792   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792   -5.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -5.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -5.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -4.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -7.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
  3  1  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  2  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  2  0  0  0  0
 10  2  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  6  2  0  0  0  0
 14  8  1  0  0  0  0
 15 11  1  0  0  0  0
 16  7  2  0  0  0  0
 17 26  1  0  0  0  0
 18  9  1  0  0  0  0
 19 17  1  0  0  0  0
 20 11  2  0  0  0  0
 21 17  2  0  0  0  0
 22 19  1  0  0  0  0
 23 24  1  0  0  0  0
 24 18  2  0  0  0  0
 25 21  1  0  0  0  0
 26 15  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 32 29  1  0  0  0  0
 33 31  1  0  0  0  0
 10  5  2  0  0  0  0
  8  7  1  0  0  0  0
 14 23  2  0  0  0  0
 33 32  2  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <Mol_ID> (723)
723

>  <Formula> (723)
C25H21N5O3

>  <MolWeight> (723)
439.46594

>  <Cat> (723)
P3602

>  <Name> (723)
WAY-322757

>  <Synonyms> (723)
N/A

>  <Target> (723)
MLL-menin interaction

>  <Form> (723)
free base

>  <CAS> (723)
683806-57-7

>  <URL> (723)
N/A

$$$$
WAY-323061
csChFnd80/10082116052D

 33 37  0  0  0  0  0  0  0  0999 V2000
    1.9292    0.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9792    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542    0.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
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 10 12  1  0  0  0  0
 11  2  1  0  0  0  0
 12 17  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  1  0  0  0  0
 15 13  2  0  0  0  0
 16 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 11  1  0  0  0  0
 19  5  1  0  0  0  0
 20  6  1  0  0  0  0
 21 15  1  0  0  0  0
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 23 15  1  0  0  0  0
 24 18  2  0  0  0  0
 25 18  1  0  0  0  0
 26 21  1  0  0  0  0
 27 19  2  0  0  0  0
 28 20  2  0  0  0  0
 29 22  2  0  0  0  0
 30 29  1  0  0  0  0
 31 25  2  0  0  0  0
 32 24  1  0  0  0  0
 33 31  1  0  0  0  0
  6  5  2  0  0  0  0
  9  7  2  0  0  0  0
 28 27  1  0  0  0  0
 32 33  2  0  0  0  0
 30 23  2  0  0  0  0
M  END
>  <Mol_ID> (724)
724

>  <Formula> (724)
C25H21N5O2S

>  <MolWeight> (724)
455.53154

>  <Cat> (724)
P3603

>  <Name> (724)
WAY-323061

>  <Synonyms> (724)
N/A

>  <Target> (724)
SIRT2

>  <Form> (724)
free base

>  <CAS> (724)
550301-63-8

>  <URL> (724)
N/A

$$$$
WAY-323062
csChFnd80/10082116052D

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.9875    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7000    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8000    1.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (725)
725

>  <Formula> (725)
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>  <MolWeight> (725)
438.56898

>  <Cat> (725)
P3604

>  <Name> (725)
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>  <Synonyms> (725)
N/A

>  <Target> (725)
SIRT2

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free base

>  <CAS> (725)
. 522650-91-5

>  <URL> (725)
N/A

$$$$
WAY-323091
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (726)
726

>  <Formula> (726)
C22H15Cl2N3O2

>  <MolWeight> (726)
424.2794

>  <Cat> (726)
P3605

>  <Name> (726)
WAY-323091

>  <Synonyms> (726)
N/A

>  <Target> (726)
PARP

>  <Form> (726)
free base

>  <CAS> (726)
684234-55-7

>  <URL> (726)
N/A

$$$$
WAY-323092
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (727)
727

>  <Formula> (727)
C22H15Cl2N3O2

>  <MolWeight> (727)
424.2794

>  <Cat> (727)
P3606

>  <Name> (727)
WAY-323092

>  <Synonyms> (727)
N/A

>  <Target> (727)
PARP

>  <Form> (727)
free base

>  <CAS> (727)
684234-56-8

>  <URL> (727)
N/A

$$$$
WAY-323093
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (728)
728

>  <Formula> (728)
C22H15BrClN3O2

>  <MolWeight> (728)
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>  <Cat> (728)
P3607

>  <Name> (728)
WAY-323093

>  <Synonyms> (728)
N/A

>  <Target> (728)
PARP

>  <Form> (728)
free base

>  <CAS> (728)
684234-57-9

>  <URL> (728)
N/A

$$$$
WAY-323096
csChFnd80/10082116052D

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   -1.9458   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9458    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 14  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 15  1  0  0  0  0
 23 15  2  0  0  0  0
 24  5  2  0  0  0  0
 25  6  2  0  0  0  0
 26 22  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  2  0  0  0  0
  6  4  1  0  0  0  0
 29 25  1  0  0  0  0
 16 19  2  0  0  0  0
 26 17  1  0  0  0  0
M  END
>  <Mol_ID> (729)
729

>  <Formula> (729)
C22H15ClFN3O2

>  <MolWeight> (729)
407.8248032

>  <Cat> (729)
P3608

>  <Name> (729)
WAY-323096

>  <Synonyms> (729)
N/A

>  <Target> (729)
PARP

>  <Form> (729)
free base

>  <CAS> (729)
684234-60-4

>  <URL> (729)
N/A

$$$$
WAY-394670
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.0802    8.1301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4906   10.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  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
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  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
 20 21  1  0  0  0  0
 20 25  2  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
M  END
>  <Mol_ID> (730)
730

>  <Formula> (730)
C19H14N4OS

>  <MolWeight> (730)
346.40566

>  <Cat> (730)
P3640

>  <Name> (730)
WAY-394670

>  <Synonyms> (730)
N/A

>  <Target> (730)
PARP

>  <Form> (730)
free base

>  <CAS> (730)
378786-16-4

>  <URL> (730)
N/A

$$$$
WAY-603656
csChFnd80/10082116052D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1667    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3208    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    0.8208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1083    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8208   -0.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5333    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  2  0  0  0  0
 16 13  2  0  0  0  0
  5  8  2  0  0  0  0
 10  9  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (731)
731

>  <Formula> (731)
C11H8N2OS2

>  <MolWeight> (731)
248.32402

>  <Cat> (731)
P3648

>  <Name> (731)
WAY-603656

>  <Synonyms> (731)
N/A

>  <Target> (731)
histone acetyltransferases,Nox enzyme

>  <Form> (731)
free base

>  <CAS> (731)
717118-15-5

>  <URL> (731)
N/A

$$$$
WAY-603657
csChFnd80/10082116052D

 19 22  0  0  0  0  0  0  0  0999 V2000
   -0.3833    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6500   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7125    0.4958    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
  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  2  0  0  0  0
 17 13  2  0  0  0  0
 18 15  2  0  0  0  0
 19 14  2  0  0  0  0
  6  8  2  0  0  0  0
 10  9  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <Mol_ID> (732)
732

>  <Formula> (732)
C14H8N2OS2

>  <MolWeight> (732)
284.35612

>  <Cat> (732)
P3649

>  <Name> (732)
WAY-603657

>  <Synonyms> (732)
N/A

>  <Target> (732)
histone acetyltransferases

>  <Form> (732)
free base

>  <CAS> (732)
100527-13-7

>  <URL> (732)
N/A

$$$$
WAY-638078
csChFnd80/10082116052D

 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.3750   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7 14  1  0  0  0  0
  8  7  1  0  0  0  0
  9  1  2  0  0  0  0
 10  8  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 15  1  0  0  0  0
 21 15  2  0  0  0  0
 22 16  2  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 20  2  0  0  0  0
 26 24  2  0  0  0  0
  3  4  2  0  0  0  0
 23 17  2  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (733)
733

>  <Formula> (733)
C20H22N4O2

>  <MolWeight> (733)
350.41428

>  <Cat> (733)
P3665

>  <Name> (733)
WAY-638078

>  <Synonyms> (733)
N/A

>  <Target> (733)
PARP

>  <Form> (733)
free base

>  <CAS> (733)
794562-86-0

>  <URL> (733)
N/A

$$$$
WAY-655845
csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
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    1.1875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  6  1  0  0  0  0
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  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
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  8  2  1  0  0  0  0
  9 11  2  0  0  0  0
 10  4  1  0  0  0  0
 11  7  1  0  0  0  0
 12  1  2  0  0  0  0
 13  1  2  0  0  0  0
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
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 18  7  2  0  0  0  0
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M  END
>  <Mol_ID> (734)
734

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379.49694

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P3673

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>  <Synonyms> (734)
N/A

>  <Target> (734)
SIRT2

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free base

>  <CAS> (734)
865267-78-3

>  <URL> (734)
N/A

$$$$
WAY-657361
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (735)
735

>  <Formula> (735)
C17H15N3O4

>  <MolWeight> (735)
325.3187

>  <Cat> (735)
P3674

>  <Name> (735)
WAY-657361

>  <Synonyms> (735)
N/A

>  <Target> (735)
BET Bromodomain

>  <Form> (735)
free base

>  <CAS> (735)
852957-78-9

>  <URL> (735)
N/A

$$$$
WAY-323744
csChFnd80/10082116052D

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 10 20  1  0  0  0  0
 11  4  2  0  0  0  0
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M  END
>  <Mol_ID> (736)
736

>  <Formula> (736)
C20H15N3O5S

>  <MolWeight> (736)
409.4152

>  <Cat> (736)
P3609

>  <Name> (736)
WAY-323744

>  <Synonyms> (736)
N/A

>  <Target> (736)
EZH2

>  <Form> (736)
free base

>  <CAS> (736)
854134-90-0

>  <URL> (736)
N/A

$$$$
WAY-324030
csChFnd80/10082116052D

 18 20  0  0  0  0  0  0  0  0999 V2000
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 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
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M  END
>  <Mol_ID> (737)
737

>  <Formula> (737)
C15H16N2O

>  <MolWeight> (737)
240.30034

>  <Cat> (737)
P3610

>  <Name> (737)
WAY-324030

>  <Synonyms> (737)
N/A

>  <Target> (737)
CBP/EP300 

>  <Form> (737)
free base

>  <CAS> (737)
92579-34-5

>  <URL> (737)
N/A

$$$$
WAY-324142
csChFnd80/10082116052D

 25 28  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (738)
738

>  <Formula> (738)
C19H15N3O2S

>  <MolWeight> (738)
349.4063

>  <Cat> (738)
P3611

>  <Name> (738)
WAY-324142

>  <Synonyms> (738)
N/A

>  <Target> (738)
HAT,sirtuin

>  <Form> (738)
free base

>  <CAS> (738)
667910-69-2

>  <URL> (738)
N/A

$$$$
WAY-324168
csChFnd80/10082116052D

 28 31  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (739)
739

>  <Formula> (739)
C20H18N2O6

>  <MolWeight> (739)
382.36672

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P3612

>  <Name> (739)
WAY-324168

>  <Synonyms> (739)
N/A

>  <Target> (739)
microtubule

>  <Form> (739)
free base

>  <CAS> (739)
663214-48-0

>  <URL> (739)
N/A

$$$$
WAY-324205
csChFnd80/10082116052D

 29 33  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (740)
740

>  <Formula> (740)
C25H30N2O2

>  <MolWeight> (740)
390.5179

>  <Cat> (740)
P3614

>  <Name> (740)
WAY-324205

>  <Synonyms> (740)
N/A

>  <Target> (740)
SIRT2

>  <Form> (740)
free base

>  <CAS> (740)
1005095-05-5

>  <URL> (740)
N/A

$$$$
WAY-324359
csChFnd80/10082116052D

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M  END
>  <Mol_ID> (741)
741

>  <Formula> (741)
C23H18ClN3O2

>  <MolWeight> (741)
403.86092

>  <Cat> (741)
P3615

>  <Name> (741)
WAY-324359

>  <Synonyms> (741)
N/A

>  <Target> (741)
PARP

>  <Form> (741)
free base

>  <CAS> (741)
836640-15-4

>  <URL> (741)
N/A

$$$$
WAY-324979
csChFnd80/10082116052D

 20 22  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (742)
742

>  <Formula> (742)
C14H13ClN4S

>  <MolWeight> (742)
304.79782

>  <Cat> (742)
P3616

>  <Name> (742)
WAY-324979

>  <Synonyms> (742)
N/A

>  <Target> (742)
MicroRNA

>  <Form> (742)
free base

>  <CAS> (742)
221120-57-6

>  <URL> (742)
N/A

$$$$
WAY-620473
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (743)
743

>  <Formula> (743)
C17H20N4O3

>  <MolWeight> (743)
328.3657

>  <Cat> (743)
P3655

>  <Name> (743)
WAY-620473

>  <Synonyms> (743)
N/A

>  <Target> (743)
PARP-1

>  <Form> (743)
free base

>  <CAS> (743)
743451-55-0

>  <URL> (743)
N/A

$$$$
WAY-639320
csChFnd80/10082116052D

 26 29  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
  3  7  2  0  0  0  0
  4  2  2  0  0  0  0
  5 10  2  0  0  0  0
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  7 11  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 19  1  0  0  0  0
 12  3  1  0  0  0  0
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 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
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 18 16  2  0  0  0  0
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 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (744)
744

>  <Formula> (744)
C17H16N8S

>  <MolWeight> (744)
364.42754

>  <Cat> (744)
P3666

>  <Name> (744)
WAY-639320

>  <Synonyms> (744)
N/A

>  <Target> (744)
MicroRNA

>  <Form> (744)
free base

>  <CAS> (744)
796060-12-3

>  <URL> (744)
N/A

$$$$
WAY-639432
csChFnd80/10082116052D

 24 26  0  0  0  0  0  0  0  0999 V2000
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  2  1  1  0  0  0  0
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  5  1  2  0  0  0  0
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 10  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  2  0  0  0  0
 13  6  1  0  0  0  0
 14  2  1  0  0  0  0
 15 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 13  1  0  0  0  0
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 20 15  2  0  0  0  0
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 23 21  2  0  0  0  0
 24 19  2  0  0  0  0
  9 12  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
>  <Mol_ID> (745)
745

>  <Formula> (745)
C21H19NO2

>  <MolWeight> (745)
317.38106

>  <Cat> (745)
P3667

>  <Name> (745)
WAY-639432

>  <Synonyms> (745)
N/A

>  <Target> (745)
EZH2

>  <Form> (745)
free base

>  <CAS> (745)
796050-78-7

>  <URL> (745)
N/A

$$$$
WAY-659224
csChFnd80/10082116052D

 22 24  0  0  0  0  0  0  0  0999 V2000
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  2  4  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  2  0  0  0  0
 10  4  2  0  0  0  0
 11  6  2  0  0  0  0
 12  8  2  0  0  0  0
 13  2  1  0  0  0  0
 14  8  1  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
  2  5  1  0  0  0  0
 17 11  1  0  0  0  0
 22 18  2  0  0  0  0
M  END
>  <Mol_ID> (746)
746

>  <Formula> (746)
C16H18N2O4

>  <MolWeight> (746)
302.32512

>  <Cat> (746)
P3675

>  <Name> (746)
WAY-659224

>  <Synonyms> (746)
N/A

>  <Target> (746)
HDAC

>  <Form> (746)
free base

>  <CAS> (746)
864853-56-5

>  <URL> (746)
N/A

$$$$
WAY-326107
csChFnd80/10082116052D

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.2436    2.4133    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  2  1  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 10  1  0  0  0  0
  8  4  1  0  0  0  0
  9  4  1  0  0  0  0
 10  6  2  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13  9  2  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 22  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  2  0  0  0  0
 21 19  2  0  0  0  0
 22 20  1  0  0  0  0
 23 18  1  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
  5  8  2  0  0  0  0
  3  7  2  0  0  0  0
 21 18  1  0  0  0  0
M  END
>  <Mol_ID> (747)
747

>  <Formula> (747)
C17H16F2N4O2

>  <MolWeight> (747)
346.3313464

>  <Cat> (747)
P3618

>  <Name> (747)
WAY-326107

>  <Synonyms> (747)
N/A

>  <Target> (747)
MicroRNA

>  <Form> (747)
free base

>  <CAS> (747)
869714-54-5

>  <URL> (747)
N/A

$$$$
WAY-327520
csChFnd80/10082116052D

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.6888    7.8589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  2  0  0  0  0
 12  8  2  0  0  0  0
 13  8  1  0  0  0  0
 14 17  1  0  0  0  0
 15  6  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  2  0  0  0  0
 18 14  1  0  0  0  0
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  5  3  2  0  0  0  0
  7 10  2  0  0  0  0
 22 21  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
>  <Mol_ID> (748)
748

>  <Formula> (748)
C17H18N4O

>  <MolWeight> (748)
294.35102

>  <Cat> (748)
P3619

>  <Name> (748)
WAY-327520

>  <Synonyms> (748)
N/A

>  <Target> (748)
BRD4-TAF1

>  <Form> (748)
free base

>  <CAS> (748)
876710-97-3

>  <URL> (748)
N/A

$$$$
WAY-608116
csChFnd80/10082116052D

 19 22  0  0  0  0  0  0  0  0999 V2000
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  6  7  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  2  0  0  0  0
  5  6  1  0  0  0  0
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 13 14  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (749)
749

>  <Formula> (749)
C14H10N4S

>  <MolWeight> (749)
266.321

>  <Cat> (749)
P3650

>  <Name> (749)
WAY-608116

>  <Synonyms> (749)
N/A

>  <Target> (749)
BRD4

>  <Form> (749)
free base

>  <CAS> (749)
380546-70-3

>  <URL> (749)
N/A

$$$$
WAY-621850
csChFnd80/10082116052D

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   -1.7375   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1667   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  6  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  2  0  0  0  0
  7  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10  8  1  0  0  0  0
 11  1  2  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  2  0  0  0  0
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 18  5  1  0  0  0  0
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 20 10  1  0  0  0  0
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  5  3  2  0  0  0  0
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  8 14  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (750)
750

>  <Formula> (750)
C21H21FN4O2

>  <MolWeight> (750)
380.4154432

>  <Cat> (750)
P3656

>  <Name> (750)
WAY-621850

>  <Synonyms> (750)
N/A

>  <Target> (750)
PARP

>  <Form> (750)
free base

>  <CAS> (750)
745035-11-4

>  <URL> (750)
N/A

$$$$
WAY-641015
csChFnd80/10082116052D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.8250   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  2  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  6  1  0  0  0  0
 11  3  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  2  0  0  0  0
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 17 11  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
  7  4  2  0  0  0  0
  9  6  2  0  0  0  0
 21 20  2  0  0  0  0
M  END
>  <Mol_ID> (751)
751

>  <Formula> (751)
C16H15N3O2

>  <MolWeight> (751)
281.3092

>  <Cat> (751)
P3668

>  <Name> (751)
WAY-641015

>  <Synonyms> (751)
N/A

>  <Target> (751)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (751)
free base

>  <CAS> (751)
851175-95-6

>  <URL> (751)
N/A

$$$$
