ABT-888(Veliparib).cdx
csChFnd80/12261913382D

 18 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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7973    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1288    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3410    2.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
 13 18  1  0  0  0  0
 13 11  1  1  0  0  0
M  END
>  <Mol_ID> (1)
1

>  <Formula> (1)
C13H16N4O

>  <MolWeight> (1)
244.29234

>  <Cat> (1)
S1004

>  <Name> (1)
ABT-888 (Veliparib)

>  <Synonyms> (1)
N/A 

>  <Target> (1)
PARP 

>  <Form> (1)
Free Base

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

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

$$$$
untitled.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.0589    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0589    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2714    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2714    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8507    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6425    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4342    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2260    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8714    5.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5020    5.8737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    3.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9082    6.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    4.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.2894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6920    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9002    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1085    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3167    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5249    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
 12 16  1  0  0  0  0
 14 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
  4 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
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (2)
2

>  <Formula> (2)
C21H23N3O2

>  <MolWeight> (2)
349.42622

>  <Cat> (2)
S1030

>  <Name> (2)
Panobinostat (LBH589)

>  <Synonyms> (2)
N/A 

>  <Target> (2)
HDAC 

>  <Form> (2)
Free Base

>  <CAS> (2)
404950-80-7

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

$$$$
AR-42.cdx
csChFnd80/12261913382D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0000    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
    6.0496    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.8879    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
  7  9  1  1  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (3)
3

>  <Formula> (3)
C18H20N2O3

>  <MolWeight> (3)
312.363

>  <Cat> (3)
S2244

>  <Name> (3)
AR-42 (HDAC-42)

>  <Synonyms> (3)
OSU-HDAC42

>  <Target> (3)
HDAC 

>  <Form> (3)
Free Base

>  <CAS> (3)
935881-37-1

>  <URL> (3)
http://www.selleckchem.com/products/AR-42-HDAC-42.html

$$$$
vorinostat.cdx
csChFnd80/12261913382D

 19 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <Mol_ID> (4)
4

>  <Formula> (4)
C14H20N2O3

>  <MolWeight> (4)
264.3202

>  <Cat> (4)
S1047

>  <Name> (4)
Vorinostat (SAHA, MK0683)

>  <Synonyms> (4)
SAHA, MK0683, suberoylanilide hydroxamic acid

>  <Target> (4)
HDAC

>  <Form> (4)
Free Base

>  <CAS> (4)
149647-78-9

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

$$$$
untitled.cdx
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.9377    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9377    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7253    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7875    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9999    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9999    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9377    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9377    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5129    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1606    8.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    6.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791    5.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861    6.3019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1502    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6272    2.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9895    3.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  3  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  9  1  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  2  0  0  0  0
 18 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 30  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
>  <Mol_ID> (5)
5

>  <Formula> (5)
C23H28N8OS

>  <MolWeight> (5)
464.58642

>  <Cat> (5)
S1048

>  <Name> (5)
VX-680 (MK-0457, Tozasertib)

>  <Synonyms> (5)
N/A 

>  <Target> (5)
Aurora Kinase

>  <Form> (5)
Free Base

>  <CAS> (5)
639089-54-6

>  <URL> (5)
http://www.selleckchem.com/products/VX-680(MK-0457).html

$$$$
untitled.cdx
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    9.6742    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    6.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8951    0.0000 N   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
    0.0000    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 15 16  1  0  0  0  0
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (6)
6

>  <Formula> (6)
C21H20N4O3

>  <MolWeight> (6)
376.4085

>  <Cat> (6)
S1053

>  <Name> (6)
Entinostat (MS-275, SNDX-275)

>  <Synonyms> (6)
SNDX-275

>  <Target> (6)
HDAC 

>  <Form> (6)
Free Base

>  <CAS> (6)
209783-80-2

>  <URL> (6)
http://www.selleckchem.com/products/MS-275.html

$$$$
untitled.cdx
csChFnd80/12261913382D

 39 45  0  0  0  0  0  0  0  0999 V2000
    1.3136    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3136    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261    6.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7385    7.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7385    9.0619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5261    9.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700    7.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8929    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700    9.4945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011   10.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326   11.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8326   12.6540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011   13.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782   11.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831   11.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   13.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287   12.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1287   11.2540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   10.8214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   14.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2477   15.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353   14.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353   13.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0700   14.4135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9613   10.4340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5011    5.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643    4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9970    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3664    3.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3031    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8705    5.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7975    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1621    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5948    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9642    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9009    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4683    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0989    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  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 15  2  0  0  0  0
 16 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 17  2  0  0  0  0
 13 24  2  0  0  0  0
 11 25  2  0  0  0  0
 18 26  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 30 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (7)
7

>  <Formula> (7)
C32H29N5O2

>  <MolWeight> (7)
515.60496

>  <Cat> (7)
S1055

>  <Name> (7)
Enzastaurin (LY317615)

>  <Synonyms> (7)
N/A 

>  <Target> (7)
PKC 

>  <Form> (7)
Free Base

>  <CAS> (7)
170364-57-5

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

$$$$
AZD2281.cdx
csChFnd80/12261913382D

 32 36  0  0  0  0  0  0  0  0999 V2000
   10.8867    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    1.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.7051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    5.4051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.6076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    5.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.7051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.6076    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.3051    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9082    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  7 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 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
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 16 22  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 20  1  0  0  0  0
 25 28  1  0  0  0  0
 28 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 30  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C24H23FN4O3

>  <MolWeight> (8)
434.4628232

>  <Cat> (8)
S1060

>  <Name> (8)
Olaparib (AZD2281, Ku-0059436)

>  <Synonyms> (8)
KU-0059436 

>  <Target> (8)
PARP 

>  <Form> (8)
Free Base

>  <CAS> (8)
763113-22-0

>  <URL> (8)
http://www.selleckchem.com/products/AZD2281(Olaparib).html

$$$$
untitled.cdx
csChFnd80/12261913382D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 S   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
    2.4249    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5413    4.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 10 11  2  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
 13 15  1  0  0  0  0
  9 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  9  1  0  0  0  0
  7 21  2  0  0  0  0
  7 22  2  0  0  0  0
M  END
>  <Mol_ID> (9)
9

>  <Formula> (9)
C15H14N2O4S

>  <MolWeight> (9)
318.34766

>  <Cat> (9)
S1085

>  <Name> (9)
Belinostat (PXD101)

>  <Synonyms> (9)
N/A 

>  <Target> (9)
HDAC 

>  <Form> (9)
Free Base

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

>  <URL> (9)
http://www.selleckchem.com/products/Belinostat.html

$$$$
BSI-201.cdx
csChFnd80/12261913382D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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    3.5000    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (10)
10

>  <Formula> (10)
C7H5IN2O3

>  <MolWeight> (10)
292.03067

>  <Cat> (10)
S1087

>  <Name> (10)
Iniparib (BSI-201)

>  <Synonyms> (10)
SAR240550 

>  <Target> (10)
PARP 

>  <Form> (10)
Free Base

>  <CAS> (10)
160003-66-7

>  <URL> (10)
http://www.selleckchem.com/products/BSI-201.html

$$$$
untitled.cdx
csChFnd80/12261913382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875    2.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2539    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6851    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    6.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    3.6149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7647    2.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1598    2.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8574    3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2574    3.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9574    4.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2574    6.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8574    6.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1574    4.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9550    7.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2574    8.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3501    7.2480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0477    8.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (11)
11

>  <Formula> (11)
C21H23N3O5

>  <MolWeight> (11)
397.42442

>  <Cat> (11)
S1090

>  <Name> (11)
Abexinostat (PCI-24781)

>  <Synonyms> (11)
CRA-024781

>  <Target> (11)
HDAC 

>  <Form> (11)
Free Base

>  <CAS> (11)
783355-60-2

>  <URL> (11)
http://www.selleckchem.com/products/PCI-24781.html

$$$$
LAQ824.cdx
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0411    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    4.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    7.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    6.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    7.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    6.6826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    7.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    6.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5071    7.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    5.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    4.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    3.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    4.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    5.2826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.5851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    3.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9581    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3907    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7907    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2233    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7275    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0969    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5295    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5927    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 15  1  0  0  0  0
 15 16  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
 17 20  2  0  0  0  0
 14 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 14  1  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 24  1  0  0  0  0
M  END
>  <Mol_ID> (12)
12

>  <Formula> (12)
C22H25N3O3

>  <MolWeight> (12)
379.4522

>  <Cat> (12)
S1095

>  <Name> (12)
LAQ824 (Dacinostat)

>  <Synonyms> (12)
NVP-LAQ824

>  <Target> (12)
HDAC 

>  <Form> (12)
Free Base

>  <CAS> (12)
404951-53-7

>  <URL> (12)
http://www.selleckchem.com/products/LAQ824(NVP-LAQ824).html

$$$$

csChFnd80/12261913382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    8.5109   -8.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7191   -8.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9353   -8.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1384   -8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1329  -10.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9393  -10.8773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7301  -10.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3411  -10.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493  -10.1945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575  -10.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3645   -6.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951   -6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951   -7.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2319   -8.6784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951   -5.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951   -5.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951   -6.4255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8951   -7.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459   -5.8274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459   -4.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3645   -3.5712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9951   -3.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1410   -2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -6.4255    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4773   -6.9060    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.1250   -7.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1150   -5.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8296   -6.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8397   -8.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  9 10  1  0  0  0  0
  8  9  1  0  0  0  0
  5  8  1  0  0  0  0
  1  2  1  0  0  0  0
  1 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  1  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
 11 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 15  1  0  0  0  0
 22 23  2  0  0  0  0
 17 24  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 29  1  0  0  0  0
M  END
>  <Mol_ID> (13)
13

>  <Formula> (13)
C19H21FN3O5P

>  <MolWeight> (13)
421.3593042

>  <Cat> (13)
S1098

>  <Name> (13)
Rucaparib (AG-014699,PF-01367338) phosphate

>  <Synonyms> (13)
AG-014447 

>  <Target> (13)
PARP 

>  <Form> (13)
Phosphate

>  <CAS> (13)
459868-92-9

>  <URL> (13)
http://www.selleckchem.com/products/AG-014699.html

$$$$
1.cdx
csChFnd80/12261913382D

 34 38  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7277    4.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    4.4015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7000    5.6628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0926    6.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7277    7.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2653    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4172    2.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679    0.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7942    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4435    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0567    3.2661    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7766    2.1888    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0448    7.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    9.2883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2672    9.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3150    8.5735    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560   10.9330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050   11.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1699   11.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1221   12.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094   14.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3445   14.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3923   13.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6584   15.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2472   16.3641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0185   14.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  2 12  1  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 10 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 11  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (14)
14

>  <Formula> (14)
C25H15ClF2N4O2

>  <MolWeight> (14)
476.8620064

>  <Cat> (14)
S1100

>  <Name> (14)
MLN8054

>  <Synonyms> (14)
N/A

>  <Target> (14)
Aurora Kinase

>  <Form> (14)
Free Base

>  <CAS> (14)
869363-13-3

>  <URL> (14)
http://www.selleckchem.com/products/MLN8054.html

$$$$
zm447439.cdx
csChFnd80/12261913382D

 38 42  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.0496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.2620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    7.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    8.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    8.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    7.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    7.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1806    8.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    9.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    9.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3830    6.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0781    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5806    8.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2806    9.6784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5806   10.8909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1806   10.8909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2781    7.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5830    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830    6.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4830    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5830    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2830    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1830    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4879    0.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5733    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2733    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3733    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6733    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2733    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 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 15  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
M  END
>  <Mol_ID> (15)
15

>  <Formula> (15)
C29H31N5O4

>  <MolWeight> (15)
513.58754

>  <Cat> (15)
S1103

>  <Name> (15)
ZM-447439

>  <Synonyms> (15)
N/A

>  <Target> (15)
Aurora Kinase

>  <Form> (15)
Free Base

>  <CAS> (15)
331771-20-1

>  <URL> (15)
http://www.selleckchem.com/products/ZM-447439.html

$$$$
untitled.cdx
csChFnd80/12261913382D

 35 39  0  0  0  0  0  0  0  0999 V2000
   15.2285    7.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2285    5.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4410    5.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6534    5.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6534    7.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4410    8.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0203    8.0839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.8121    7.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0203    9.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8121   10.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6039    8.0839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8121    5.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4575    9.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0881    9.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3881    8.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3249    7.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1513   10.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8724   10.2382    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0187    8.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9819    7.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720    6.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5988    6.1166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2352    5.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037    6.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8633    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859    3.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5263    4.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1176    2.8071    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    3.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    0.9335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3683    0.5009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4087    1.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  6  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 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  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 29  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
>  <Mol_ID> (16)
16

>  <Formula> (16)
C26H30N6O3

>  <MolWeight> (16)
474.5548

>  <Cat> (16)
S1107

>  <Name> (16)
Danusertib (PHA-739358)

>  <Synonyms> (16)
N/A 

>  <Target> (16)
Aurora Kinase, FGFR, Bcr-Abl, c-RET, Src

>  <Form> (16)
Free Base

>  <CAS> (16)
827318-97-8

>  <URL> (16)
http://www.selleckchem.com/products/PHA-739358(Danusertib).html

$$$$
726169-73-9.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    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    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
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 N   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    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.1000    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
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    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
 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
 14 19  1  0  0  0  0
 10 11  1  0  0  0  0
  5 10  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 24 29  2  0  0  0  0
 25 30  1  0  0  0  0
  9 24  1  0  0  0  0
M  END
>  <Mol_ID> (17)
17

>  <Formula> (17)
C23H20N6O

>  <MolWeight> (17)
396.4445

>  <Cat> (17)
S1122

>  <Name> (17)
Mocetinostat (MGCD0103)

>  <Synonyms> (17)
N/A 

>  <Target> (17)
HDAC 

>  <Form> (17)
Free Base

>  <CAS> (17)
726169-73-9

>  <URL> (17)
http://www.selleckchem.com/products/MGCD0103(Mocetinostat).html

$$$$
SRT1720.cdx
csChFnd80/12261913382D

 35 39  0  0  0  0  0  0  0  0999 V2000
    3.6373   11.9416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    6.3557    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995    7.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9995    7.6872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    6.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    9.0187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5669    9.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2354    5.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9443    4.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6128    4.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3217    2.7517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3622    1.8149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6936    2.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9847    3.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1814    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  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
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  2 11  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 20 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 21 25  2  0  0  0  0
 22 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 29 34  1  0  0  0  0
 28 29  1  0  0  0  0
 23 28  1  0  0  0  0
 15 26  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
>  <Mol_ID> (18)
18

>  <Formula> (18)
C25H24ClN7OS

>  <MolWeight> (18)
506.02236

>  <Cat> (18)
S1129

>  <Name> (18)
SRT1720 HCl

>  <Synonyms> (18)
N/A

>  <Target> (18)
Sirtuin

>  <Form> (18)
Hydrochloride

>  <CAS> (18)
1001645-58-4

>  <URL> (18)
http://www.selleckchem.com/products/SRT1720.html

$$$$
ino-1001.cdx
csChFnd80/12261913382D

 10 10  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (19)
19

>  <Formula> (19)
C7H8N2O

>  <MolWeight> (19)
136.15122

>  <Cat> (19)
S1132

>  <Name> (19)
INO-1001 (3-Aminobenzamide)

>  <Synonyms> (19)
N/A

>  <Target> (19)
PARP 

>  <Form> (19)
Free Base

>  <CAS> (19)
3544-24-9

>  <URL> (19)
http://www.selleckchem.com/products/INO-1001.html

$$$$
mln8237.cdx
csChFnd80/12261913382D

 37 41  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7898    2.0089    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276    2.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9391    4.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5547    5.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    4.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    3.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    4.9372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    6.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6391    6.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432    6.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    6.9235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8791    5.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1907    4.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5460    6.3824    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7367    7.3579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1367    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    6.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    6.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9367    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8367    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9343    4.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2367    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3318    7.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0294    8.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0294    6.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 15 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 16  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 27  1  0  0  0  0
 29 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
M  END
>  <Mol_ID> (20)
20

>  <Formula> (20)
C27H20ClFN4O4

>  <MolWeight> (20)
518.9235032

>  <Cat> (20)
S1133

>  <Name> (20)
MLN8237 (Alisertib)

>  <Synonyms> (20)
Alisertib

>  <Target> (20)
Aurora Kinase

>  <Form> (20)
Free Base

>  <CAS> (20)
1028486-01-2

>  <URL> (20)
http://www.selleckchem.com/products/MLN8237.html

$$$$
AT9283.cdx
csChFnd80/12261913382D

 28 32  0  0  0  0  0  0  0  0999 V2000
   13.5255    2.4098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1561    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7234    0.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2193    3.1591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    6.3232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    6.7559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    5.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6519    4.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9834    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    5.6232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.4906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    6.7559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4622    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7533    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7937    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  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
  5  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 12 18  2  0  0  0  0
 13 15  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
 20 25  1  0  0  0  0
 19 23  1  0  0  0  0
 16 19  1  0  0  0  0
  7 10  1  0  0  0  0
  4  8  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 28  1  0  0  0  0
  1 26  1  0  0  0  0
M  END
>  <Mol_ID> (21)
21

>  <Formula> (21)
C19H23N7O2

>  <MolWeight> (21)
381.43162

>  <Cat> (21)
S1134

>  <Name> (21)
AT9283

>  <Synonyms> (21)
N/A

>  <Target> (21)
Bcr-Abl, JAK, Aurora Kinase

>  <Form> (21)
Free Base

>  <CAS> (21)
896466-04-9

>  <URL> (21)
http://www.selleckchem.com/products/AT9283.html

$$$$
AG-490.cdx
csChFnd80/12261913382D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.7903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    3.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    0.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  3  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  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
 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
M  END
>  <Mol_ID> (22)
22

>  <Formula> (22)
C17H14N2O3

>  <MolWeight> (22)
294.30466

>  <Cat> (22)
S1143

>  <Name> (22)
AG-490 (Tyrphostin B42)

>  <Synonyms> (22)
N/A

>  <Target> (22)
JAK, EGFR

>  <Form> (22)
Free Base

>  <CAS> (22)
133550-30-8 

>  <URL> (22)
http://www.selleckchem.com/products/AG-490.html

$$$$
untitled.cdx
csChFnd80/12261913382D

 37 40  0  0  0  0  0  0  0  0999 V2000
    9.6658    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6658    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8783    6.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0907    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8783    9.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    6.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    7.6410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    9.7410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    5.5459    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    4.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6577    3.4560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0271    3.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7271    4.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7903    5.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1146    4.5231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9346    3.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3221    3.5403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.3672    2.1199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1422    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4576    9.7386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0411    9.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    9.7386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.0410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   11.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165   11.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7880    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3574    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5345    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7449    1.5711    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 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
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 21 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 21  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
>  <Mol_ID> (23)
23

>  <Formula> (23)
C26H30FN7O3

>  <MolWeight> (23)
507.5599032

>  <Cat> (23)
S1147

>  <Name> (23)
Barasertib (AZD1152-HQPA)

>  <Synonyms> (23)
AZD1152 

>  <Target> (23)
Aurora Kinase

>  <Form> (23)
Free Base

>  <CAS> (23)
722544-51-6

>  <URL> (23)
http://www.selleckchem.com/products/AZD1152-HQPA.html

$$$$
cyc116.cdx
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3865    4.3257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    5.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6233    6.5786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2539    6.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2171    7.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7108    5.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  1  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  7 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  7  2  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
>  <Mol_ID> (24)
24

>  <Formula> (24)
C18H20N6OS

>  <MolWeight> (24)
368.456

>  <Cat> (24)
S1171

>  <Name> (24)
CYC116

>  <Synonyms> (24)
N/A

>  <Target> (24)
Aurora Kinase, VEGFR

>  <Form> (24)
Free Base

>  <CAS> (24)
693228-63-6

>  <URL> (24)
http://www.selleckchem.com/products/CYC116.html

$$$$
ENMD-2076.cdx
csChFnd80/12261913382D

 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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464    8.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9158    8.3923    0.0000 N   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
    4.7832    6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8464    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4541    7.3246    0.0000 C   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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   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
    9.6995    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
  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
  3  7  1  0  0  0  0
  8  9  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 15  1  0  0  0  0
 10 15  2  0  0  0  0
  9 10  1  0  0  0  0
  1  8  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 18  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
  5 22  1  0  0  0  0
M  END
>  <Mol_ID> (25)
25

>  <Formula> (25)
C21H25N7

>  <MolWeight> (25)
375.4701

>  <Cat> (25)
S1181

>  <Name> (25)
ENMD-2076

>  <Synonyms> (25)
N/A 

>  <Target> (25)
Flt, Aurora Kinase, VEGFR

>  <Form> (25)
Tartaric Acid 

>  <CAS> (25)
934353-76-1

>  <URL> (25)
http://www.selleckchem.com/products/ENMD-2076.html

$$$$
S119401 CUDC-101.cdx
csChFnd80/12261913382D

 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
   14.5113    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2989    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1487    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9362    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7818    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8782    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4618    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 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
 18 19  3  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
  8 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 30 32  1  0  0  0  0
M  END
>  <Mol_ID> (26)
26

>  <Formula> (26)
C24H26N4O4

>  <MolWeight> (26)
434.48764

>  <Cat> (26)
S1194

>  <Name> (26)
CUDC-101

>  <Synonyms> (26)
N/A

>  <Target> (26)
HDAC, EGFR, HER2

>  <Form> (26)
Free Base

>  <CAS> (26)
1012054-59-9

>  <URL> (26)
http://www.selleckchem.com/products/CUDC-101.html

$$$$
decitabine (2¡ä-deoxy-5-azacytidine).cdx
csChFnd80/12261913382D

 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
    2.8601    3.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0976    2.4356    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9786    1.3476    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2856    1.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    2.4356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2966    4.1254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6036    3.6237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6916    4.5047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4726    5.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    6.3892    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    5.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7751    6.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5568    6.7655    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
  3  6  1  1  0  0  0
  6  7  1  0  0  0  0
  4  8  1  6  0  0  0
  1  9  1  1  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  9  1  0  0  0  0
 14 15  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
>  <Mol_ID> (27)
27

>  <Formula> (27)
C8H12N4O4

>  <MolWeight> (27)
228.20528

>  <Cat> (27)
S1200

>  <Name> (27)
Decitabine

>  <Synonyms> (27)
Dacogen

>  <Target> (27)
DNA/RNA Synthesis

>  <Form> (27)
Free Base

>  <CAS> (27)
2353-33-5

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

$$$$
2-Methoxyestradiol.cdx
csChFnd80/12261913382D

 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
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4786    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4786    4.2000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    2.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6330    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8101    4.6326    0.0000 C   0  0  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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8410    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5101    5.8451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 10 21  1  6  0  0  0
  9 22  1  1  0  0  0
 12 23  1  1  0  0  0
 17 24  1  1  0  0  0
 11 25  1  6  0  0  0
M  END
>  <Mol_ID> (28)
28

>  <Formula> (28)
C19H26O3

>  <MolWeight> (28)
302.40794

>  <Cat> (28)
S1233

>  <Name> (28)
2-Methoxyestradiol

>  <Synonyms> (28)
2-ME2

>  <Target> (28)
HIF

>  <Form> (28)
Free Base

>  <CAS> (28)
362-07-2

>  <URL> (28)
http://www.selleckchem.com/products/2-Methoxyestradiol(2ME2).html

$$$$
JNJ-7706621.cdx
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.0927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    3.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8927    4.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1927    6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7927    6.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6976    4.8115    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    3.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    4.8115    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9854    3.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4160    2.3243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4564    1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6688    2.0875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3778    3.4569    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3106    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9434    1.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0720    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3510    1.7707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4836    2.5936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3373    3.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    4.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257    3.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6512    4.2999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4968    0.3832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0892    0.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
 20 26  1  0  0  0  0
 18 27  2  0  0  0  0
M  END
>  <Mol_ID> (29)
29

>  <Formula> (29)
C15H12F2N6O3S

>  <MolWeight> (29)
394.3559864

>  <Cat> (29)
S1249

>  <Name> (29)
JNJ-7706621

>  <Synonyms> (29)
N/A 

>  <Target> (29)
CDK, Aurora Kinase

>  <Form> (29)
Free Base

>  <CAS> (29)
443797-96-4

>  <URL> (29)
http://www.selleckchem.com/products/JNJ-7706621.html

$$$$
Nicotinamide.cdx
csChFnd80/12261913382D

  9  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
>  <Mol_ID> (30)
30

>  <Formula> (30)
C6H6N2O

>  <MolWeight> (30)
122.12464

>  <Cat> (30)
S1899

>  <Name> (30)
Nicotinamide (Vitamin B3)

>  <Synonyms> (30)
Niacinamide

>  <Target> (30)
Sirtuin

>  <Form> (30)
Free Base

>  <CAS> (30)
98-92-0

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

$$$$
resveratrol.cdx
csChFnd80/12261913382D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.3476    3.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7099    2.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6898    4.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3376    4.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3998    2.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863    3.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    3.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0963    1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4486    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4385    2.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762    3.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7239    4.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    4.6764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8096    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 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
 14 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
>  <Mol_ID> (31)
31

>  <Formula> (31)
C14H12O3

>  <MolWeight> (31)
228.24328

>  <Cat> (31)
S1396

>  <Name> (31)
Resveratrol

>  <Synonyms> (31)
N/A

>  <Target> (31)
Sirtuin

>  <Form> (31)
Free Base

>  <CAS> (31)
501-36-0

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

$$$$
Droxinostat.cdx
csChFnd80/12261913382D

 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.1073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (32)
32

>  <Formula> (32)
C11H14ClNO3

>  <MolWeight> (32)
243.68676

>  <Cat> (32)
S1422

>  <Name> (32)
Droxinostat

>  <Synonyms> (32)
N/A

>  <Target> (32)
HDAC 

>  <Form> (32)
Free Base

>  <CAS> (32)
99873-43-5

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

$$$$
Aurora A Inhibitor I.cdx
csChFnd80/12261913382D

 42 46  0  0  0  0  0  0  0  0999 V2000
   10.8867    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7280    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3611    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2024    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9900    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7775    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5693    6.2903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    9.7854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7854    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
  3  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 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
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 34  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (33)
33

>  <Formula> (33)
C31H31ClFN7O2

>  <MolWeight> (33)
588.0749432

>  <Cat> (33)
S1451

>  <Name> (33)
Aurora A Inhibitor I

>  <Synonyms> (33)
N/A

>  <Target> (33)
Aurora Kinase

>  <Form> (33)
Free Base

>  <CAS> (33)
1158838-45-9

>  <URL> (33)
http://www.selleckchem.com/products/Aurora-A-Inhibitor-I.html

$$$$
PHA-6806320.cdx
csChFnd80/12261913382D

 37 41  0  0  0  0  0  0  0  0999 V2000
    5.5914   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3828   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6849   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2892   11.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297   11.7753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3957   10.5432    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1297    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297    9.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7784   10.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763   11.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4763    9.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8720    9.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952    8.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    8.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272   10.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952   10.4676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6952    6.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0272    6.3681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8504    7.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4585    5.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8066    4.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4716    4.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8328    2.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8425    1.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2050    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5481    0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1857    2.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4944    2.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1726    3.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5207    2.9688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5075    1.0896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
  4 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
 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 17  2  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 29 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (34)
34

>  <Formula> (34)
C28H35N7O2

>  <MolWeight> (34)
501.6232

>  <Cat> (34)
S1454

>  <Name> (34)
PHA-680632

>  <Synonyms> (34)
N/A

>  <Target> (34)
Aurora Kinase

>  <Form> (34)
Free Base

>  <CAS> (34)
398493-79-3

>  <URL> (34)
http://www.selleckchem.com/products/PHA-680632.html

$$$$
FG-4592.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8455    6.2976    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
    6.0580    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1976    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
    8.4786    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    8.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.9049    0.0000 O   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  9 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
M  END
>  <Mol_ID> (35)
35

>  <Formula> (35)
C19H16N2O5

>  <MolWeight> (35)
352.34074

>  <Cat> (35)
S1007

>  <Name> (35)
Roxadustat (FG-4592)

>  <Synonyms> (35)
N/A 

>  <Target> (35)
HIF

>  <Form> (35)
Free Base

>  <CAS> (35)
808118-40-3

>  <URL> (35)
http://www.selleckchem.com/products/fg-4592.html

$$$$
MC-1568.cdx
csChFnd80/12261913382D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0221    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    3.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9081    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1702    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6685    3.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3826    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5951    2.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075    1.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0199    2.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075    0.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2324    1.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  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
  8 12  2  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
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
 15 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
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
>  <Mol_ID> (36)
36

>  <Formula> (36)
C17H15FN2O3

>  <MolWeight> (36)
314.3110032

>  <Cat> (36)
S1484

>  <Name> (36)
MC1568

>  <Synonyms> (36)
N/A

>  <Target> (36)
HDAC 

>  <Form> (36)
Free Base

>  <CAS> (36)
852475-26-4

>  <URL> (36)
http://www.selleckchem.com/products/MC1568.html

$$$$
SB 939.cdx
csChFnd80/12261913382D

 26 27  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    5.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    5.7600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    7.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2788    7.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8316    5.3259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6574    6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8316    7.5991    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.1649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.1649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.2649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2642    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6336    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0663    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4357    2.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1295    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3724    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0574    6.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7574    7.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1574    7.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8574    8.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (37)
37

>  <Formula> (37)
C20H30N4O2

>  <MolWeight> (37)
358.4778

>  <Cat> (37)
S1515

>  <Name> (37)
SB939 (Pracinostat)

>  <Synonyms> (37)
N/A 

>  <Target> (37)
HDAC

>  <Form> (37)
Free Base

>  <CAS> (37)
929016-96-6

>  <URL> (37)
http://www.selleckchem.com/products/SB939.html

$$$$
A-966492.cdx
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.0000    0.0000 N   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
    3.7564    2.3601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    4.6253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    2.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    2.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    4.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9768    5.9134    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    3.4927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9924    2.3601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3239    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3239    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9924    4.6253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 20 16  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 11 13  1  0  0  0  0
M  END
>  <Mol_ID> (38)
38

>  <Formula> (38)
C18H17FN4O

>  <MolWeight> (38)
324.3521832

>  <Cat> (38)
S2197

>  <Name> (38)
A-966492

>  <Synonyms> (38)
N/A

>  <Target> (38)
PARP

>  <Form> (38)
Free Base

>  <CAS> (38)
934162-61-5

>  <URL> (38)
http://www.selleckchem.com/products/A-966492.html

$$$$
Hesperadin .cdx
csChFnd80/12261913382D

 37 41  0  0  0  0  0  0  0  0999 V2000
    3.6331    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    0.2698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2123    1.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3894    2.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6075    1.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7518    3.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7653    4.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0994    4.2484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1276    6.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1377    7.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7854    6.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4230    5.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4130    4.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4617    5.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8140    5.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1764    7.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1864    8.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8341    7.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718    6.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5475    9.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5576   10.6429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9199   11.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9300   12.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5777   12.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2153   11.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2053   10.2805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  2  0  0  0  0
  9 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 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 18  1  0  0  0  0
 19 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
 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 37  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (39)
39

>  <Formula> (39)
C29H32N4O3S

>  <MolWeight> (39)
516.65438

>  <Cat> (39)
S1529

>  <Name> (39)
Hesperadin

>  <Synonyms> (39)
N/A

>  <Target> (39)
Aurora Kinase

>  <Form> (39)
Free Base

>  <CAS> (39)
422513-13-1

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

$$$$
EX527.cdx
csChFnd80/12261913382D

 17 19  0  0  0  0  0  0  0  0999 V2000
    4.2978    3.9405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652    3.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5978    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9978    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4304    3.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7958    3.4087    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8590    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2916    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9346    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3040    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7366    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7998    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3647    4.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982    5.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  5  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  6 15  1  0  0  0  0
M  END
>  <Mol_ID> (40)
40

>  <Formula> (40)
C13H13ClN2O

>  <MolWeight> (40)
248.70812

>  <Cat> (40)
S1541

>  <Name> (40)
EX 527

>  <Synonyms> (40)
SEN0014196

>  <Target> (40)
Sirtuin

>  <Form> (40)
Free Base

>  <CAS> (40)
49843-98-3

>  <URL> (40)
http://www.selleckchem.com/products/EX-527.html

$$$$

csChFnd80/12261913382D

 38 41  0  0  0  0  0  0  0  0999 V2000
    5.2249  -11.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (41)
41

>  <Formula> (41)
C27H30Cl2F2N6O

>  <MolWeight> (41)
563.4695064

>  <Cat> (41)
S2686

>  <Name> (41)
NVP-BSK805 2HCl

>  <Synonyms> (41)
N/A

>  <Target> (41)
JAK

>  <Form> (41)
HCl

>  <CAS> (41)
1092499-93-8 (free base)

>  <URL> (41)
http://www.selleckchem.com/products/nvp-bsk805.html

$$$$
DIVALPROEX (divalproex sodium).cdx
csChFnd80/12261913382D

 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> (42)
42

>  <Formula> (42)
C16H31NaO4

>  <MolWeight> (42)
310.40471

>  <Cat> (42)
S1703

>  <Name> (42)
Divalproex sodium

>  <Synonyms> (42)
Depakote, Epival

>  <Target> (42)
HDAC

>  <Form> (42)
Sodium Salt

>  <CAS> (42)
76584-70-8

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

$$$$
THIOGUANINE (thioguanine).cdx
csChFnd80/12261913382D

 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> (43)
43

>  <Formula> (43)
C5H5N5S

>  <MolWeight> (43)
167.1917

>  <Cat> (43)
S1774

>  <Name> (43)
Thioguanine

>  <Synonyms> (43)
6-Thioguanine

>  <Target> (43)
Others

>  <Form> (43)
Free Base

>  <CAS> (43)
154-42-7

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

$$$$
VIDAZA (azacitidine).cdx
csChFnd80/12261913382D

 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> (44)
44

>  <Formula> (44)
C8H12N4O5

>  <MolWeight> (44)
244.20468

>  <Cat> (44)
S1782

>  <Name> (44)
Azacitidine (Vidaza)

>  <Synonyms> (44)
5-azacytidine, Mylosar, Ladakamycin 

>  <Target> (44)
DNA/RNA Synthesis

>  <Form> (44)
Free Base

>  <CAS> (44)
320-67-2

>  <URL> (44)
http://www.selleckchem.com/products/Azacitidine(Vidaza).html

$$$$
Baricitinib.cdx
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.7433    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7533    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4211    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688    1.1347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7734    2.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    2.1709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7551    3.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    4.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9924    3.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0880    8.5566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3950    8.0549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    6.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    5.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2190    6.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6424    8.6905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968    6.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6324    7.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5433    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    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  1  0  0  0  0
  3  4  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  3  0  0  0  0
  3  6  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
  3  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
  1 22  1  0  0  0  0
M  END
>  <Mol_ID> (45)
45

>  <Formula> (45)
C16H17N7O2S

>  <MolWeight> (45)
371.41688

>  <Cat> (45)
S2851

>  <Name> (45)
Baricitinib (LY3009104)

>  <Synonyms> (45)
INCB 28050

>  <Target> (45)
JAK

>  <Form> (45)
Free Base

>  <CAS> (45)
1187594-09-7

>  <URL> (45)
http://www.selleckchem.com/products/baricitinib-ly3009104.html

$$$$
Metformin hydrochloride.cdx
csChFnd80/12261913382D

 10  8  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0664    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8140    1.9976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  2  0  0  0  0
  4  9  2  0  0  0  0
M  END
>  <Mol_ID> (46)
46

>  <Formula> (46)
C4H12ClN5

>  <MolWeight> (46)
165.62458

>  <Cat> (46)
S1950

>  <Name> (46)
Metformin hydrochloride (Glucophage)

>  <Synonyms> (46)
Glucophage, Riomet, Diabex

>  <Target> (46)
Others

>  <Form> (46)
Hydrochloride

>  <CAS> (46)
1115-70-4

>  <URL> (46)
http://www.selleckchem.com/products/Metformin-hydrochloride(Glucophage).html

$$$$
Quercetin.cdx
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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> (47)
47

>  <Formula> (47)
C15H10O7

>  <MolWeight> (47)
302.2357

>  <Cat> (47)
S2391

>  <Name> (47)
Quercetin (Sophoretin)

>  <Synonyms> (47)
Meletin, Quercetine

>  <Target> (47)
PI3K, PKC, Src, Sirtuin

>  <Form> (47)
Free Base

>  <CAS> (47)
117-39-5

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

$$$$
KW2449.cdx
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    5.6843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    5.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    4.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7635    5.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1281    4.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5607    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9301    3.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8669    4.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4343    5.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0649    5.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316    3.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1651    5.0266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6627    2.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7259    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1585    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5279    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4647    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0321    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  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 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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
M  END
>  <Mol_ID> (48)
48

>  <Formula> (48)
C20H20N4O

>  <MolWeight> (48)
332.399

>  <Cat> (48)
S2158

>  <Name> (48)
KW 2449

>  <Synonyms> (48)
N/A

>  <Target> (48)
Flt, Bcr-Abl, Aurora Kinase

>  <Form> (48)
Free Base

>  <CAS> (48)
1000669-72-6

>  <URL> (48)
http://www.selleckchem.com/products/KW-2449.html

$$$$

csChFnd80/12261913382D

 33 33  0  0  0  0  0  0  0  0999 V2000
    7.6412   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0661   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0661   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6412   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2785   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4910   -4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4910   -3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2785   -2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4330   -2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -3.5023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0123   -2.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7999   -3.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2206   -4.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6992   -5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9074   -4.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1156   -5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3239   -4.8999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5321   -5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1156   -6.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5321   -6.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7445   -7.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9570   -6.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9570   -5.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7445   -4.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1652   -7.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3734   -6.9975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5817   -7.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1652   -9.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3552   -9.5521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9433   -9.7124    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  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
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 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
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
M  END
>  <Mol_ID> (49)
49

>  <Formula> (49)
C24H30ClN3O5

>  <MolWeight> (49)
475.9651

>  <Cat> (49)
S2170

>  <Name> (49)
ITF2357 (Givinostat)

>  <Synonyms> (49)
N/A 

>  <Target> (49)
HDAC 

>  <Form> (49)
Chloride

>  <CAS> (49)
732302-99-7

>  <URL> (49)
http://www.selleckchem.com/products/ITF2357(Givinostat).html

$$$$
Daphnetin.cdx
csChFnd80/12261913382D

 13 14  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
>  <Mol_ID> (50)
50

>  <Formula> (50)
C9H6O4

>  <MolWeight> (50)
178.14154

>  <Cat> (50)
S2554

>  <Name> (50)
Daphnetin

>  <Synonyms> (50)
N/A 

>  <Target> (50)
DNA/RNA Synthesis

>  <Form> (50)
Free Base

>  <CAS> (50)
486-35-1

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

$$$$
AG14361.cdx
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
    5.7536    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7536    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9660    1.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785    2.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1785    3.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9660    4.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590    4.5059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2941    1.6717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6590    1.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6037    5.6853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2056    5.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9695    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4722    6.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0985    8.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3272    9.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297    9.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035    8.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0747    6.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612   10.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7686   10.3632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1445    9.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 11 14  2  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 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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (51)
51

>  <Formula> (51)
C19H20N4O

>  <MolWeight> (51)
320.3883

>  <Cat> (51)
S2178

>  <Name> (51)
AG14361

>  <Synonyms> (51)
N/A

>  <Target> (51)
PARP

>  <Form> (51)
Free Base

>  <CAS> (51)
328543-09-5

>  <URL> (51)
http://www.selleckchem.com/products/AG14361.html

$$$$
LY2784544.cdx
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.0197    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    5.2139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    5.9139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    7.3139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    8.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    5.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5989    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7760    7.7465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2321    9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   10.1090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   11.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8073   12.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   11.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5948   10.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8073    9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8115    5.2163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6032    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4569    7.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    7.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875    6.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3243    5.3444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9941    6.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2072    4.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2736    3.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9042    3.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674    2.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4001    1.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7695    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7063    1.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4665    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.0709    1.4961    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  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  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
  2 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  2  0  0  0  0
 21 23  1  0  0  0  0
  8 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (52)
52

>  <Formula> (52)
C23H25ClFN7O

>  <MolWeight> (52)
469.9423032

>  <Cat> (52)
S2179

>  <Name> (52)
Gandotinib (LY2784544)

>  <Synonyms> (52)
N/A

>  <Target> (52)
JAK 

>  <Form> (52)
Free Base

>  <CAS> (52)
1229236-86-5

>  <URL> (52)
http://www.selleckchem.com/products/LY2784544.html

$$$$
SGI 1776 free base.cdx
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.2746    7.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    8.1733    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    7.0407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    4.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5268    3.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9594    2.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3288    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2656    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6350    2.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0676    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3991    1.7641    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.5003    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.7362    0.8989    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2407    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5407    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
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
>  <Mol_ID> (53)
53

>  <Formula> (53)
C20H22F3N5O

>  <MolWeight> (53)
405.4167896

>  <Cat> (53)
S2198

>  <Name> (53)
SGI-1776 free base

>  <Synonyms> (53)
N/A

>  <Target> (53)
Pim

>  <Form> (53)
Free Base

>  <CAS> (53)
1025065-69-3

>  <URL> (53)
http://www.selleckchem.com/products/SGI-1776.html

$$$$
AZ 960.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    2.4138    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4138    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    8.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262   11.8854    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469   10.4879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4015    8.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7709    8.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4709    9.3193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5341   10.3597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3383    6.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    5.5951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8387    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6262    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0511    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0511    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0469    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 17 24  1  1  0  0  0
 21 25  1  0  0  0  0
  8 26  3  0  0  0  0
M  END
>  <Mol_ID> (54)
54

>  <Formula> (54)
C18H16F2N6

>  <MolWeight> (54)
354.3566464

>  <Cat> (54)
S2214

>  <Name> (54)
AZ 960

>  <Synonyms> (54)
N/A

>  <Target> (54)
JAK

>  <Form> (54)
Free Base

>  <CAS> (54)
905586-69-8

>  <URL> (54)
http://www.selleckchem.com/products/AZ-960.html

$$$$
CYT 387.cdx
csChFnd80/12261913382D

 31 34  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
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9489    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    8.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1571    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5709    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  3  0  0  0  0
M  END
>  <Mol_ID> (55)
55

>  <Formula> (55)
C23H22N6O2

>  <MolWeight> (55)
414.45978

>  <Cat> (55)
S2219

>  <Name> (55)
Momelotinib (CYT387)

>  <Synonyms> (55)
CYT 11387 

>  <Target> (55)
JAK 

>  <Form> (55)
Free Base

>  <CAS> (55)
1056634-68-4

>  <URL> (55)
http://www.selleckchem.com/products/Cyt387.html

$$$$
(-)-Epigallocatechin gallate.cdx
csChFnd80/12261913382D

 33 36  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  0  0  0  0  0  0  0  0  0  0
    2.4207    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.2903    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8413    7.6854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.5903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6827    6.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  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> (56)
56

>  <Formula> (56)
C22H18O11

>  <MolWeight> (56)
458.37172

>  <Cat> (56)
S2250

>  <Name> (56)
(-)-Epigallocatechin gallate

>  <Synonyms> (56)
EGCG

>  <Target> (56)
DNA Methyltransferase,HER2,Telomerase,EGFR

>  <Form> (56)
Free Base

>  <CAS> (56)
989-51-5

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

$$$$
Fisetin.cdx
csChFnd80/12261913382D

 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> (57)
57

>  <Formula> (57)
C15H10O6

>  <MolWeight> (57)
286.2363

>  <Cat> (57)
S2298

>  <Name> (57)
Fisetin (Fustel)

>  <Synonyms> (57)
Fustel, Viset

>  <Target> (57)
Sirtuin

>  <Form> (57)
Free Base

>  <CAS> (57)
528-48-3

>  <URL> (57)
http://www.selleckchem.com/products/Fisetin(Fustel).html

$$$$
Myricitrin.cdx
csChFnd80/12261913382D

 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> (58)
58

>  <Formula> (58)
C21H20O12

>  <MolWeight> (58)
464.3763

>  <Cat> (58)
S2327

>  <Name> (58)
Myricitrin (Myricitrine)

>  <Synonyms> (58)
Myricitrine, Myricitroside, Myricetol 3-rhamnoside, Myricetin 3-O-rhamnoside 

>  <Target> (58)
PKC

>  <Form> (58)
Free Base

>  <CAS> (58)
17912-87-7

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

$$$$
Parthenolide.cdx
csChFnd80/12261913382D

 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> (59)
59

>  <Formula> (59)
C15H20O3

>  <MolWeight> (59)
248.3175

>  <Cat> (59)
S2341

>  <Name> (59)
Parthenolide ((-)-Parthenolide)

>  <Synonyms> (59)
N/A 

>  <Target> (59)
HDAC,NF-¦ÊB,Mdm2,p53

>  <Form> (59)
Free Base

>  <CAS> (59)
20554-84-1

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

$$$$
Curcumol.cdx
csChFnd80/12261913382D

 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> (60)
60

>  <Formula> (60)
C15H24O2

>  <MolWeight> (60)
236.34986

>  <Cat> (60)
S2407

>  <Name> (60)
Curcumol

>  <Synonyms> (60)
N/A

>  <Target> (60)
JAK

>  <Form> (60)
Free Base

>  <CAS> (60)
4871-97-0

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

$$$$
TAK-901.cdx
csChFnd80/12261913382D

 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
    1.2082    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1933   10.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884    7.8821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0141    2.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8370    3.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0141    4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2294    3.6439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7988    4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9759    6.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5836    5.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5433    7.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 13 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 14  1  0  0  0  0
 30 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 31  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
>  <Mol_ID> (61)
61

>  <Formula> (61)
C28H32N4O3S

>  <MolWeight> (61)
504.64368

>  <Cat> (61)
S2718

>  <Name> (61)
TAK-901

>  <Synonyms> (61)
N/A

>  <Target> (61)
Aurora Kinase

>  <Form> (61)
Free Base

>  <CAS> (61)
934541-31-8

>  <URL> (61)
http://www.selleckchem.com/products/tak-901.html

$$$$
TG1012009.cdx
csChFnd80/12261913382D

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.8371    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    2.0927    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    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9289    0.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3289    0.1827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9446    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5777    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5777    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3653    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1529    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7860    6.2879    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
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  2  0  0  0  0
  8 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  8  1  0  0  0  0
 21 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
>  <Mol_ID> (62)
62

>  <Formula> (62)
C26H35N7O2S

>  <MolWeight> (62)
509.6668

>  <Cat> (62)
S2692

>  <Name> (62)
TG101209

>  <Synonyms> (62)
N/A

>  <Target> (62)
Flt, JAK, c-RET

>  <Form> (62)
Free Base

>  <CAS> (62)
936091-14-4

>  <URL> (62)
http://www.selleckchem.com/products/tg101209.html

$$$$
AMG900.cdx
csChFnd80/12261913382D

 37 42  0  0  0  0  0  0  0  0999 V2000
    1.2082    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8413    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.2951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.9951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6703    2.8052    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.0397    2.5142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7397    3.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8029    4.7670    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
   18.1272    3.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 21  2  0  0  0  0
 22 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 23  1  0  0  0  0
 24 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 31  2  0  0  0  0
  9 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (63)
63

>  <Formula> (63)
C28H21N7OS

>  <MolWeight> (63)
503.57764

>  <Cat> (63)
S2719

>  <Name> (63)
AMG 900

>  <Synonyms> (63)
N/A

>  <Target> (63)
Aurora Kinase

>  <Form> (63)
Free Base

>  <CAS> (63)
945595-80-2

>  <URL> (63)
http://www.selleckchem.com/products/amg-900.html

$$$$

csChFnd80/12261913382D

 34 34  0  0  0  0  0  0  0  0999 V2000
    2.8002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2335   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6668   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -7.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1002   -7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1002   -5.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0169   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4502   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -3.5003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8835   -9.1100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084   -3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -2.8002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -3.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -3.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0959   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3084   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208   -9.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7332   -9.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9457   -9.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581   -9.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4538   -4.1267    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  6 15  1  0  0  0  0
  3 16  1  0  0  0  0
 10 17  2  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 11 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (64)
64

>  <Formula> (64)
C22H30Cl2N4O6

>  <MolWeight> (64)
517.4028

>  <Cat> (64)
S2485

>  <Name> (64)
Mitoxantrone 2HCl

>  <Synonyms> (64)
NSC-301739

>  <Target> (64)
Topoisomerase

>  <Form> (64)
Dihydrochloride

>  <CAS> (64)
70476-82-3

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

$$$$
CP-690550 citrate.cdx
csChFnd80/12261913382D

 36 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    1.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    3.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    1.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9404    4.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5240    4.4844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1486    2.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3569    1.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1486    3.7868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    2.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    1.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115    3.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 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 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 27 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 24 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
M  END
>  <Mol_ID> (65)
65

>  <Formula> (65)
C22H28N6O8

>  <MolWeight> (65)
504.49312

>  <Cat> (65)
S5001

>  <Name> (65)
Tofacitinib citrate (CP-690550 citrate)

>  <Synonyms> (65)
N/A 

>  <Target> (65)
JAK

>  <Form> (65)
Citrate

>  <CAS> (65)
540737-29-9

>  <URL> (65)
http://www.selleckchem.com/products/CP-690550.html

$$$$
Phenformin hydrochloride.cdx
csChFnd80/12261913382D

 16 15  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2167    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6404    1.4195    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <Mol_ID> (66)
66

>  <Formula> (66)
C10H16ClN5

>  <MolWeight> (66)
241.72054

>  <Cat> (66)
S2542

>  <Name> (66)
Phenformin hydrochloride 

>  <Synonyms> (66)
N/A

>  <Target> (66)
AMPK

>  <Form> (66)
Hydrochloride 

>  <CAS> (66)
834-28-6

>  <URL> (66)
http://www.selleckchem.com/products/Phenformin-hydrochloride.html

$$$$
Curcumin.cdx
csChFnd80/12261913382D

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.4249    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7743    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2034    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4158    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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 18  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (67)
67

>  <Formula> (67)
C21H20O6

>  <MolWeight> (67)
368.3799

>  <Cat> (67)
S1848

>  <Name> (67)
Curcumin

>  <Synonyms> (67)
Diferuloylmethane, Natural Yellow 3, C.I. 75300 

>  <Target> (67)
NF-¦ÊB,Histone Acetyltransferase,Nrf2

>  <Form> (67)
Free Base

>  <CAS> (67)
458-37-7

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

$$$$
A769662.cdx
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.7785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4125    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7819    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.4819    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5452    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8514    1.5035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2840    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3472    3.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9778    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7783    5.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2109    6.5337    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0443    4.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6486    3.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 22 25  1  0  0  0  0
 20 26  2  0  0  0  0
 23 24  3  0  0  0  0
M  END
>  <Mol_ID> (68)
68

>  <Formula> (68)
C20H12N2O3S

>  <MolWeight> (68)
360.38588

>  <Cat> (68)
S2697

>  <Name> (68)
A-769662

>  <Synonyms> (68)
N/A

>  <Target> (68)
AMPK

>  <Form> (68)
Free Base

>  <CAS> (68)
844499-71-4

>  <URL> (68)
http://www.selleckchem.com/products/a-769662.html

$$$$
GSK1070916.cdx
csChFnd80/12261913382D

 38 42  0  0  0  0  0  0  0  0999 V2000
    8.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3937    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2166    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3937    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6117    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3117    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7117    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4117    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7117    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3117    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4093    3.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8093    3.8207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5068    5.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5068    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8497    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9824    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5497    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1497    6.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7171    5.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3698    7.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7573    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3903    4.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3499    5.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184    5.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7273    3.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7677    2.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0992    3.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    3.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3636    4.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0368    3.7930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6537    5.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7467    2.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  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
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (69)
69

>  <Formula> (69)
C30H33N7O

>  <MolWeight> (69)
507.62932

>  <Cat> (69)
S2740

>  <Name> (69)
GSK1070916

>  <Synonyms> (69)
N/A 

>  <Target> (69)
Aurora Kinase

>  <Form> (69)
Free Base

>  <CAS> (69)
942918-07-2

>  <URL> (69)
http://www.selleckchem.com/products/gsk1070916.html

$$$$
TG101348.cdx
csChFnd80/12261913382D

 37 40  0  0  0  0  0  0  0  0999 V2000
    7.2620    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    7.6927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1501    8.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133    7.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9133    6.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2827    6.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.5951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.3976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9355    2.6058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3307    0.1893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 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
 19 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
>  <Mol_ID> (70)
70

>  <Formula> (70)
C27H36N6O3S

>  <MolWeight> (70)
524.67814

>  <Cat> (70)
S2736

>  <Name> (70)
Fedratinib (SAR302503, TG101348)

>  <Synonyms> (70)
N/A

>  <Target> (70)
JAK 

>  <Form> (70)
Free Base

>  <CAS> (70)
936091-26-8

>  <URL> (70)
http://www.selleckchem.com/products/tg-101348.html

$$$$
MK-5108.cdx
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4702    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9074    2.0923    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7748    0.1306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4744    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2927    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0496    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    6.9903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9903    0.0000 O   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
    2.4207    6.9927    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
    1.2082    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9903    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
  6 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 14 20  1  1  0  0  0
 17 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 25 30  1  0  0  0  0
 26 31  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
>  <Mol_ID> (71)
71

>  <Formula> (71)
C22H21ClFN3O3S

>  <MolWeight> (71)
461.9368432

>  <Cat> (71)
S2770

>  <Name> (71)
MK-5108 (VX-689)

>  <Synonyms> (71)
N/A 

>  <Target> (71)
Aurora Kinase

>  <Form> (71)
Free Base

>  <CAS> (71)
1010085-13-8

>  <URL> (71)
http://www.selleckchem.com/products/mk-5108-vx-689.html

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/12261913382D

 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
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1252    6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516    8.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7557    6.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7598    6.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6966    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640    8.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8946    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    9.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4157    1.0573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 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 16  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (72)
72

>  <Formula> (72)
C20H22ClN3O2

>  <MolWeight> (72)
371.86058

>  <Cat> (72)
S2627

>  <Name> (72)
Tubastatin A hydrochloride

>  <Synonyms> (72)
N/A

>  <Target> (72)
HDAC

>  <Form> (72)
Hydrochloride

>  <CAS> (72)
1310693-92-5

>  <URL> (72)
http://www.selleckchem.com/products/tubastatin-a-hcl.html

$$$$
PCI-34051.cdx
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2694    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3098    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6413    2.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6817    3.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0132    2.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    1.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2638    0.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9324    1.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6357    1.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6761    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  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
 10 12  1  0  0  0  0
  7 10  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
 20 21  1  0  0  0  0
 17 20  1  0  0  0  0
 13 14  1  0  0  0  0
  1 13  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
>  <Mol_ID> (73)
73

>  <Formula> (73)
C17H16N2O3

>  <MolWeight> (73)
296.32054

>  <Cat> (73)
S2012

>  <Name> (73)
PCI-34051

>  <Synonyms> (73)
N/A

>  <Target> (73)
HDAC 

>  <Form> (73)
Free Base

>  <CAS> (73)
950762-95-5

>  <URL> (73)
http://www.selleckchem.com/products/pci-34051.html

$$$$
RG108.cdx
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
    5.9792    4.6632    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    5.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    3.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    2.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    7.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    3.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    3.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050    2.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2411    2.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2411    4.1532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050    4.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6129    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6569    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9931    0.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2852    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    5.8757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    7.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2768    3.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  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
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  2  0  0  0  0
  1 26  1  1  0  0  0
M  END
>  <Mol_ID> (74)
74

>  <Formula> (74)
C19H14N2O4

>  <MolWeight> (74)
334.32546

>  <Cat> (74)
S2821

>  <Name> (74)
RG108

>  <Synonyms> (74)
N/A 

>  <Target> (74)
Transferases

>  <Form> (74)
Free Base

>  <CAS> (74)
48208-26-0

>  <URL> (74)
http://www.selleckchem.com/products/rg108.html

$$$$
CUDC-907.cdx
csChFnd80/12261913382D

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.1879    2.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    2.4696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    3.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    4.8945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879    4.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878    3.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    3.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    4.8903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.4738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    3.6821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    2.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5986    3.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9301    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9301    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5986    6.0229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.1425    3.4903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3550    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3550    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1425    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1425    7.6854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5632    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5632    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7756    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9880    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9880    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7756    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1963    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1963    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3550    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3550    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1425   10.4854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9301    9.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9301    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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  2  0  0  0  0
  3 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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 13  1  0  0  0  0
 15 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
 21 22  1  0  0  0  0
 19 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
 22 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 22  1  0  0  0  0
  8 36  1  0  0  0  0
M  END
>  <Mol_ID> (75)
75

>  <Formula> (75)
C23H24N8O4S

>  <MolWeight> (75)
508.55286

>  <Cat> (75)
S2759

>  <Name> (75)
CUDC-907

>  <Synonyms> (75)
N/A

>  <Target> (75)
HDAC, PI3K

>  <Form> (75)
Free Base

>  <CAS> (75)
1339928-25-4

>  <URL> (75)
http://www.selleckchem.com/products/cudc-907.html

$$$$
M344.cdx
csChFnd80/12261913382D

 22 22  0  0  0  0  0  0  0  0999 V2000
    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
    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
    1.2124    4.2049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
M  END
>  <Mol_ID> (76)
76

>  <Formula> (76)
C16H25N3O3

>  <MolWeight> (76)
307.388

>  <Cat> (76)
S2779

>  <Name> (76)
M344

>  <Synonyms> (76)
N/A 

>  <Target> (76)
HDAC

>  <Form> (76)
Free Base

>  <CAS> (76)
251456-60-7 

>  <URL> (76)
http://www.selleckchem.com/products/m344.html

$$$$
CP-690550.cdx
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6331    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2927    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2124    6.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    3.4951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  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 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  1  6  0  0  0
 14 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
M  END
>  <Mol_ID> (77)
77

>  <Formula> (77)
C16H20N6O

>  <MolWeight> (77)
312.3696

>  <Cat> (77)
S2789

>  <Name> (77)
Tofacitinib (CP-690550, Tasocitinib)

>  <Synonyms> (77)
Tasocitinib 

>  <Target> (77)
JAK

>  <Form> (77)
Free Base

>  <CAS> (77)
477600-75-2

>  <URL> (77)
http://www.selleckchem.com/products/tofacitinib-cp-690550.html

$$$$
WP1066.cdx
csChFnd80/12261913382D

 22 23  0  0  0  0  0  0  0  0999 V2000
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 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    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
    0.0000    3.5000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  1  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
  6  8  1  0  0  0  0
  5  6  1  0  0  0  0
 14 15  3  0  0  0  0
  2 14  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 20 22  1  0  0  0  0
  3 16  1  0  0  0  0
M  END
>  <Mol_ID> (78)
78

>  <Formula> (78)
C17H14BrN3O

>  <MolWeight> (78)
356.21656

>  <Cat> (78)
S2796

>  <Name> (78)
WP1066

>  <Synonyms> (78)
N/A

>  <Target> (78)
JAK 

>  <Form> (78)
Free Base

>  <CAS> (78)
857064-38-1

>  <URL> (78)
http://www.selleckchem.com/products/wp1066.html

$$$$
Sotrastaurin£¨AEB071£©.cdx
csChFnd80/12261913382D

 33 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.0351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    6.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    7.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    3.5437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    8.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.6061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.5061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    8.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    9.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157   10.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   11.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406   10.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    9.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    6.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.1061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    4.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9635    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9772    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2562    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3888    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2424    2.2152    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
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  2  0  0  0  0
 12 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
 18 23  1  0  0  0  0
 21 24  1  0  0  0  0
  9 18  1  0  0  0  0
  4 11  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 25 33  1  0  0  0  0
 28 33  2  0  0  0  0
  3 27  1  0  0  0  0
M  END
>  <Mol_ID> (79)
79

>  <Formula> (79)
C25H22N6O2

>  <MolWeight> (79)
438.48118

>  <Cat> (79)
S2791

>  <Name> (79)
Sotrastaurin (AEB071)

>  <Synonyms> (79)
N/A 

>  <Target> (79)
PKC 

>  <Form> (79)
Free Base

>  <CAS> (79)
425637-18-9

>  <URL> (79)
http://www.selleckchem.com/products/sotrastaurin-aeb071.html

$$$$
Sirtinol.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    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
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 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
 10 12  1  0  0  0  0
  9 10  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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 20 29  2  0  0  0  0
 24 29  1  0  0  0  0
 21 30  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  2  0  0  0  0
  3 18  1  0  0  0  0
M  END
>  <Mol_ID> (80)
80

>  <Formula> (80)
C26H22N2O2

>  <MolWeight> (80)
394.46508

>  <Cat> (80)
S2804

>  <Name> (80)
Sirtinol

>  <Synonyms> (80)
N/A 

>  <Target> (80)
Sirtuin 

>  <Form> (80)
Free Base

>  <CAS> (80)
410536-97-9

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

$$$$
CEP33779.cdx
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    5.5903    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3903    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6903    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2903    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1951    5.2672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3879    7.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7830    7.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    5.2672    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6059    6.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9374    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9374    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6059    8.8205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    6.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    6.9879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    8.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9374    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9374    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3622    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1498    0.6976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9416    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3580    1.3951    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  7  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  2  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 30 33  2  0  0  0  0
M  END
>  <Mol_ID> (81)
81

>  <Formula> (81)
C24H26N6O2S

>  <MolWeight> (81)
462.56724

>  <Cat> (81)
S2806

>  <Name> (81)
CEP33779

>  <Synonyms> (81)
N/A

>  <Target> (81)
JAK

>  <Form> (81)
Free Base

>  <CAS> (81)
1257704-57-6

>  <URL> (81)
http://www.selleckchem.com/products/cep33779.html

$$$$
CI994.cdx
csChFnd80/12261913382D

 20 21  0  0  0  0  0  0  0  0999 V2000
    3.4879    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    2.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879    4.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    3.6289    0.0000 N   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
    0.0000    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0927    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6830    3.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    4.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3806    2.4207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7757    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757    1.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5757    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4757    3.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  4 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 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
 15 20  1  0  0  0  0
M  END
>  <Mol_ID> (82)
82

>  <Formula> (82)
C15H15N3O2

>  <MolWeight> (82)
269.2985

>  <Cat> (82)
S2818

>  <Name> (82)
CI994 (Tacedinaline)

>  <Synonyms> (82)
PD-123654 

>  <Target> (82)
HDAC

>  <Form> (82)
Free Base

>  <CAS> (82)
112522-64-2

>  <URL> (82)
http://www.selleckchem.com/products/ci994-tacedinaline.html

$$$$
Entacapone.cdx
csChFnd80/12261913382D

 22 22  0  0  0  0  0  0  0  0999 V2000
    7.0000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    6.0622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    2.4249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5  6  1  0  0  0  0
  8  9  1  0  0  0  0
  5  8  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 10 15  2  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 14 16  1  0  0  0  0
 13 19  1  0  0  0  0
 12 20  1  0  0  0  0
  3 10  1  0  0  0  0
 21 22  3  0  0  0  0
  2 21  1  0  0  0  0
M  END
>  <Mol_ID> (83)
83

>  <Formula> (83)
C14H15N3O5

>  <MolWeight> (83)
305.286

>  <Cat> (83)
S3147

>  <Name> (83)
Entacapone

>  <Synonyms> (83)
N/A 

>  <Target> (83)
Histone Methyltransferase

>  <Form> (83)
Free Base

>  <CAS> (83)
130929-57-6

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

$$$$
WHI-P154.cdx
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.9000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11 12  1  0  0  0  0
  8 11  1  0  0  0  0
 13 14  1  0  0  0  0
  7 13  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 16 21  2  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 15 16  1  0  0  0  0
  4 15  1  0  0  0  0
M  END
>  <Mol_ID> (84)
84

>  <Formula> (84)
C16H14BrN3O3

>  <MolWeight> (84)
376.20466

>  <Cat> (84)
S2867

>  <Name> (84)
WHI-P154

>  <Synonyms> (84)
N/A

>  <Target> (84)
JAK, EGFR

>  <Form> (84)
Free Base

>  <CAS> (84)
211555-04-3

>  <URL> (84)
http://www.selleckchem.com/products/whi-p154.html

$$$$
S-Ruxolitinib.cdx
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    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    9.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   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    9.0533    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
  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  6  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
M  END
>  <Mol_ID> (85)
85

>  <Formula> (85)
C17H18N6

>  <MolWeight> (85)
306.36502

>  <Cat> (85)
S2902

>  <Name> (85)
S-Ruxolitinib

>  <Synonyms> (85)
N/A

>  <Target> (85)
JAK

>  <Form> (85)
Free Base

>  <CAS> (85)
941685-37-6

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

$$$$
Go 6983.cdx
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    2.4165    7.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    6.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    5.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.5843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    6.0542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    7.1868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    8.3194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    4.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6704    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1015    2.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1680    1.3269    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8033    1.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6393   11.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5067   10.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9393    9.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3393    9.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7719   10.7972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0988   11.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1798   11.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5102    7.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5102    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7226    5.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9351    6.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9351    7.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7226    8.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1787    8.2465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3558    7.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1787    5.9812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 22 23  2  0  0  0  0
 19 24  2  0  0  0  0
 11 20  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
 25 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 26  1  0  0  0  0
 31 21  1  0  0  0  0
M  END
>  <Mol_ID> (86)
86

>  <Formula> (86)
C26H26N4O3

>  <MolWeight> (86)
442.50964

>  <Cat> (86)
S2911

>  <Name> (86)
Go 6983

>  <Synonyms> (86)
N/A

>  <Target> (86)
PKC

>  <Form> (86)
Free Base

>  <CAS> (86)
133053-19-7

>  <URL> (86)
http://www.selleckchem.com/products/go-6983.html

$$$$
IOX2.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 O   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
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 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
    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    2.8000    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
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  8 17  1  0  0  0  0
 12 17  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 18 19  1  0  0  0  0
  8 18  1  0  0  0  0
  9 25  2  0  0  0  0
 11 26  1  0  0  0  0
  6 10  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
>  <Mol_ID> (87)
87

>  <Formula> (87)
C19H16N2O5

>  <MolWeight> (87)
352.34074

>  <Cat> (87)
S2919

>  <Name> (87)
IOX2

>  <Synonyms> (87)
N/A

>  <Target> (87)
HIF

>  <Form> (87)
Free Base

>  <CAS> (87)
931398-72-0

>  <URL> (87)
http://www.selleckchem.com/products/iox2.html

$$$$
aicar.cdx
csChFnd80/12261913382D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.8045    1.1326    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2045    1.1326    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6371    2.4641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5045    3.2870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.4641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0404    2.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9686    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9816    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1012    2.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2339    2.8967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8012    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4012    4.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5783    5.3608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0165    5.2145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0547    6.6398    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
  5  6  1  1  0  0  0
  3  7  1  1  0  0  0
  1  8  1  6  0  0  0
  2  9  1  6  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <Mol_ID> (88)
88

>  <Formula> (88)
C9H14N4O5

>  <MolWeight> (88)
258.23126

>  <Cat> (88)
S1802

>  <Name> (88)
AICAR (Acadesine)

>  <Synonyms> (88)
AICAR, AICA-riboside

>  <Target> (88)
AMPK

>  <Form> (88)
Free Base

>  <CAS> (88)
2627-69-2

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

$$$$
PF-06405761.cdx
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.7386    1.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4398    0.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8421    0.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8353    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5440    1.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9437    1.5968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6452    2.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9347    4.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    4.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0438    2.8177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6340    5.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3400    1.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408    2.8004    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8519    3.4996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9415    4.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295    2.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    2.1060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    0.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    4.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0046    4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  5  4  2  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  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
  8 11  2  0  0  0  0
  9 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 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
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <Mol_ID> (89)
89

>  <Formula> (89)
C16H17N3O4S

>  <MolWeight> (89)
347.38888

>  <Cat> (89)
S1216

>  <Name> (89)
PFI-1(PF-6405761) 

>  <Synonyms> (89)
PF-06405761

>  <Target> (89)
Epigenetic Reader Domain

>  <Form> (89)
Free Base

>  <CAS> (89)
1403764-72-6

>  <URL> (89)
http://www.selleckchem.com/products/pfl-1.html

$$$$
sodium phenylbutyrate.cdx
csChFnd80/12261913382D

 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> (90)
90

>  <Formula> (90)
C10H11NaO2

>  <MolWeight> (90)
186.18291

>  <Cat> (90)
S4125

>  <Name> (90)
Sodium Phenylbutyrate

>  <Synonyms> (90)
N/A

>  <Target> (90)
HDAC

>  <Form> (90)
Sodium Salt

>  <CAS> (90)
1716-12-7

>  <URL> (90)
https://www.selleckchem.com/products/sodium-phenylbutyrate.html

$$$$
4SC-201(resminostat,BYK408740).cdx
csChFnd80/12261913382D

 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> (91)
91

>  <Formula> (91)
C16H19N3O4S

>  <MolWeight> (91)
349.40476

>  <Cat> (91)
S2693

>  <Name> (91)
Resminostat (RAS2410)

>  <Synonyms> (91)
4SC-201, BYK408740

>  <Target> (91)
HDAC

>  <Form> (91)
Free Base

>  <CAS> (91)
864814-88-0

>  <URL> (91)
http://www.selleckchem.com/products/resminostat-ras2410.html

$$$$
S4246.cdx
csChFnd80/12261913382D

 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> (92)
92

>  <Formula> (92)
C9H12ClNR

>  <MolWeight> (92)
169.65128

>  <Cat> (92)
S4246

>  <Name> (92)
Tranylcypromine (2-PCPA) HCl

>  <Synonyms> (92)
N/A

>  <Target> (92)
MAO

>  <Form> (92)
Hydrochloride

>  <CAS> (92)
4548-34-9

>  <URL> (92)
http://www.selleckchem.com/products/tranylcypromine-2-pcpa-hcl.html

$$$$
Tenovin-6 HCl.cdx
csChFnd80/12261913382D

 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
  2  3  1  0  0  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
 10 12  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
 13 18  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
 20 25  2  0  0  0  0
 19 20  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 26  1  0  0  0  0
 16 19  1  0  0  0  0
 11 13  1  0  0  0  0
  9 10  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (93)
93

>  <Formula> (93)
C25H35ClN4O2S

>  <MolWeight> (93)
491.089

>  <Cat> (93)
S4900

>  <Name> (93)
Tenovin-6

>  <Synonyms> (93)
N/A

>  <Target> (93)
p53,Sirtuin

>  <Form> (93)
Free Base

>  <CAS> (93)
1011557-82-6

>  <URL> (93)
http://www.selleckchem.com/products/tenovin-6.html

$$$$
Procainamide hydrochloride.cdx
csChFnd80/12261913382D

 18 17  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    4.9980    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
M  END
>  <Mol_ID> (94)
94

>  <Formula> (94)
C13H22ClN3O

>  <MolWeight> (94)
271.78628

>  <Cat> (94)
S4294

>  <Name> (94)
Procainamide HCl

>  <Synonyms> (94)
N/A

>  <Target> (94)
Sodium Channel

>  <Form> (94)
Hydrochloride

>  <CAS> (94)
614-39-1

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

$$$$
R-Ruxolitinib.cdx
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.2083    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478    2.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5709    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480    0.2605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2083    4.2003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0813    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5139    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9141    6.3505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465    5.0191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371    7.4831    0.0000 C   0  0  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    9.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9311   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    9.0533    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
  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
M  END
>  <Mol_ID> (95)
95

>  <Formula> (95)
C17H18N6

>  <MolWeight> (95)
306.36502

>  <Cat> (95)
S1378

>  <Name> (95)
Ruxolitinib (INCB018424)

>  <Synonyms> (95)
N/A

>  <Target> (95)
JAK

>  <Form> (95)
Free Base

>  <CAS> (95)
941678-49-5

>  <URL> (95)
http://www.selleckchem.com/products/INCB18424.html

$$$$
ENMD-2076 L-(+)-Tartaric acid.cdx
csChFnd80/12261913382D

 38 40  0  0  0  0  0  0  0  0999 V2000
    3.5666   10.9845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   12.9463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298   13.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298   12.0249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538   10.8564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.6613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    8.7613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7623   14.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.6637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    5.2637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    7.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    5.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    6.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    2.0951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3842    1.3976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1760    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9635    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8006    1.3976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5924    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3842    0.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 11 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 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  6  0  0  0
 29 33  1  0  0  0  0
 29 34  2  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 31 38  1  6  0  0  0
M  END
>  <Mol_ID> (96)
96

>  <Formula> (96)
C25H31N7O6

>  <MolWeight> (96)
525.55694

>  <Cat> (96)
S2018

>  <Name> (96)
ENMD-2076 L-(+)-Tartaric acid

>  <Synonyms> (96)
N/A

>  <Target> (96)
FLT3

>  <Form> (96)
Free Base

>  <CAS> (96)
1291074-87-7

>  <URL> (96)
http://www.selleckchem.com/products/enmd-2076-l-tartaric-acid.html

$$$$
S1096-JNJ26481585.cdx
csChFnd80/12261913382D

 31 32  0  0  0  0  0  0  0  0999 V2000
    8.4322    8.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4422    7.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8046    5.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1468    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7845    7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7924    4.0626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1752    4.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3942    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1569    2.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6416    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8541    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0665    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4914    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7038    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7038    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4914    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9162    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9162    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1287    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3411    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3411    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1287    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.5535    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5535    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7660    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9784    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7561   23.4830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.4830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 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 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (97)
97

>  <Formula> (97)
C21H28Cl2N6O2

>  <MolWeight> (97)
467.39202

>  <Cat> (97)
S1096

>  <Name> (97)
Quisinostat (JNJ-26481585) 2HCl

>  <Synonyms> (97)
N/A

>  <Target> (97)
HDAC

>  <Form> (97)
Dihydrochloride

>  <CAS> (97)
875320-31-3

>  <URL> (97)
http://www.selleckchem.com/products/JNJ-26481585.html

$$$$

csChFnd80/12261913382D

 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
   17.9605    2.7810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9602    6.9744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1676    2.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (98)
98

>  <Formula> (98)
C20H28Cl3N3O3

>  <MolWeight> (98)
464.81362

>  <Cat> (98)
S4589

>  <Name> (98)
Amodiaquin (dihydrochloride dihydrate)

>  <Synonyms> (98)
N/A

>  <Target> (98)
Transferase,Histone

>  <Form> (98)
dihydrochloride dihydrate

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

>  <URL> (98)
http://www.selleckchem.com/products/amodiaquin-dihydrochloride-dihydrate.html

$$$$
S4715 Benzamide.cdx
csChFnd80/12261913382D

  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> (99)
99

>  <Formula> (99)
C7H7NO

>  <MolWeight> (99)
121.13658

>  <Cat> (99)
S4715

>  <Name> (99)
Benzamide

>  <Synonyms> (99)
Sulfabenzamide|Sulfabenzid|Sulfabenzide|Sulfabenzoylamide|N-Sulfamylbenzamide

>  <Target> (99)
Others

>  <Form> (99)
Free Base

>  <CAS> (99)
55-21-0

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

$$$$
S4710 Picolinamide.cdx
csChFnd80/12261913382D

  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> (100)
100

>  <Formula> (100)
C6H6N2O

>  <MolWeight> (100)
122.12464

>  <Cat> (100)
S4710

>  <Name> (100)
Picolinamide

>  <Synonyms> (100)
2-Pyridinecarboxamide, Picolinoylamide, 2-Carbamoylpyridine

>  <Target> (100)
PARP

>  <Form> (100)
Free Base

>  <CAS> (100)
1452-77-3

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

$$$$
MK4827.cdx
csChFnd80/12261913382D

 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> (101)
101

>  <Formula> (101)
C19H20N4O

>  <MolWeight> (101)
320.3883

>  <Cat> (101)
S2741

>  <Name> (101)
MK-4827(Niraparib)

>  <Synonyms> (101)
N/A

>  <Target> (101)
PARP

>  <Form> (101)
Free Base

>  <CAS> (101)
1038915-60-4

>  <URL> (101)
http://www.selleckchem.com/products/mk-4827.html

$$$$
S4735 Salvianolic acid B.cdx
csChFnd80/12261913382D

 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
    8.4990    2.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   14.5410    6.8893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5096    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5927    1.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6010    4.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9119    7.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5510    7.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7221    8.4247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.3514    8.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.0848    7.7247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6894    2.7921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7092    8.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3860    9.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    8.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0848    6.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1883   10.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8594   10.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    7.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8723    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2972    5.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
    3.6599    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4346    5.6049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4346    4.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6112    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  6  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  1  0  0  0
  5  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  2  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  1  0  0  0
 20 25  1  0  0  0  0
 20 26  2  0  0  0  0
 21 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 24 31  2  0  0  0  0
 32 25  1  0  0  0  0
 27 33  1  0  0  0  0
 29 34  1  0  0  0  0
 29 35  2  0  0  0  0
 32 36  1  0  0  0  0
 32 37  1  1  0  0  0
 34 38  2  0  0  0  0
 35 39  1  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 42  2  0  0  0  0
 38 43  1  0  0  0  0
 38 44  1  0  0  0  0
 39 43  2  0  0  0  0
 40 45  2  0  0  0  0
 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> (102)
102

>  <Formula> (102)
C36H30O16

>  <MolWeight> (102)
718.6138

>  <Cat> (102)
S4735

>  <Name> (102)
Salvianolic acid B

>  <Synonyms> (102)
Lithospermate B

>  <Target> (102)
Others

>  <Form> (102)
Free Base

>  <CAS> (102)
121521-90-2

>  <URL> (102)
http://www.selleckchem.com/products/salvianolic-acid-b.html

$$$$
S3661 2-Methoxy-1,4-naphthoquinone.cdx
csChFnd80/12261913382D

 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> (103)
103

>  <Formula> (103)
C11H8O3

>  <MolWeight> (103)
188.17942

>  <Cat> (103)
S3661

>  <Name> (103)
2-Methoxy-1,4-naphthoquinone

>  <Synonyms> (103)
N/A

>  <Target> (103)
PKC

>  <Form> (103)
free base

>  <CAS> (103)
2348-82-5

>  <URL> (103)
http://www.selleckchem.com/products/2-methoxy-1-4-naphthoquinone.html

$$$$
S3819 Decursinol angelate.cdx
csChFnd80/12261913382D

 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
    6.0759    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    6.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0759    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5088    4.8534    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8657    6.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    4.2112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    6.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2615    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    2.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8657    4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2473    4.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    2.1860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663    0.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9660    7.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018    5.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2136    2.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7559    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  2  2  0  0  0  0
  8 10  1  1  0  0  0
 11  4  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16  7  2  0  0  0  0
 17 13  2  0  0  0  0
 18  3  2  0  0  0  0
 19 12  2  0  0  0  0
 20 15  2  0  0  0  0
 21  5  1  0  0  0  0
 22  5  1  0  0  0  0
 23 15  1  0  0  0  0
 24 20  1  0  0  0  0
  7 14  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
M  END
>  <Mol_ID> (104)
104

>  <Formula> (104)
C19H20O5

>  <MolWeight> (104)
328.3591

>  <Cat> (104)
S3819

>  <Name> (104)
Decursinol angelate

>  <Synonyms> (104)
N/A

>  <Target> (104)
PKC

>  <Form> (104)
free base

>  <CAS> (104)
130848-06-5

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

$$$$
S4800 Daminozide.cdx
csChFnd80/12261913382D

 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> (105)
105

>  <Formula> (105)
C6H12N2O3

>  <MolWeight> (105)
160.17108

>  <Cat> (105)
S4800

>  <Name> (105)
Daminozide

>  <Synonyms> (105)
Aminozide, Succinic Acid

>  <Target> (105)
PHF8,KDM2A 

>  <Form> (105)
free base

>  <CAS> (105)
1596-84-5

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

$$$$
S3832 Euphorbiasteroid.cdx
csChFnd80/12261913382D

 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
    4.3069    1.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (106)
106

>  <Formula> (106)
C32H40O8

>  <MolWeight> (106)
552.6552

>  <Cat> (106)
S3832

>  <Name> (106)
Euphorbiasteroid

>  <Synonyms> (106)
Euphorbia factor L1

>  <Target> (106)
Others

>  <Form> (106)
free base

>  <CAS> (106)
28649-59-4

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

$$$$
Sodium valproate.cdx
csChFnd80/12261913382D

 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> (107)
107

>  <Formula> (107)
C8H15NaO2

>  <MolWeight> (107)
166.19327

>  <Cat> (107)
S1168

>  <Name> (107)
Valproic acid sodium salt (Sodium valproate)

>  <Synonyms> (107)
N/A 

>  <Target> (107)
GABA Receptor, HDAC

>  <CAS> (107)
1069-66-5, 99-66-1 (FREE BASE)

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

$$$$
SNS-314 Mesylate.cdx
csChFnd80/12261913382D

 33 35  0  0  0  0  0  0  0  0999 V2000
    2.1148    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    3.2083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    3.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    5.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    6.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    5.6707    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    3.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    7.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    7.4035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    8.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    7.5316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    8.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    9.7845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    8.4262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    7.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    7.0058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    6.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    8.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    7.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    9.0502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536   10.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650   10.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    9.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    8.8724    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7283    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5283    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
>  <Mol_ID> (108)
108

>  <Formula> (108)
C19H19ClN6O4S3

>  <MolWeight> (108)
527.03996

>  <Cat> (108)
S1154

>  <Name> (108)
SNS-314 Mesylate

>  <Synonyms> (108)
N/A

>  <Target> (108)
Aurora Kinase

>  <Form> (108)
Mesylate

>  <CAS> (108)
1146618-41-8

>  <URL> (108)
http://www.selleckchem.com/products/SNS-314.html

$$$$
pim inhibitor I(SMI-4a).cdx
csChFnd80/12261913382D

 18 19  0  0  0  0  0  0  0  0999 V2000
    2.4641    2.6922    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.5249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8967    6.2890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2870    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8870    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  2  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 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
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 11 15  1  0  0  0  0
  5  8  2  0  0  0  0
M  END
>  <Mol_ID> (109)
109

>  <Formula> (109)
C11H6F3NO2S

>  <MolWeight> (109)
273.2310496

>  <Cat> (109)
S8005

>  <Name> (109)
SMI-4a

>  <Synonyms> (109)
N/A

>  <Target> (109)
Pim

>  <Form> (109)
Free Base

>  <CAS> (109)
438190-29-5

>  <URL> (109)
http://www.selleckchem.com/products/smi-4a.html

$$$$
ACY-1215.cdx
csChFnd80/12261913382D

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1403    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3485    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5609    1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1403    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
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 32  2  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (110)
110

>  <Formula> (110)
C24H27N5O3

>  <MolWeight> (110)
433.50288

>  <Cat> (110)
S8001

>  <Name> (110)
ACY-1215

>  <Synonyms> (110)
N/A

>  <Target> (110)
HDAC

>  <Form> (110)
Free Base

>  <CAS> (110)
1316214-52-4

>  <URL> (110)
http://www.selleckchem.com/products/rocilinostat-acy-1215.html

$$$$
UPF-1069.cdx
csChFnd80/12261913382D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.7976    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
    1.2166    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.4879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 10 16  2  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
M  END
>  <Mol_ID> (111)
111

>  <Formula> (111)
C17H13NO3

>  <MolWeight> (111)
279.29002

>  <Cat> (111)
S8038

>  <Name> (111)
UPF 1069

>  <Synonyms> (111)
N/A

>  <Target> (111)
PARP

>  <Form> (111)
Free Base

>  <CAS> (111)
1048371-03-4

>  <URL> (111)
http://www.selleckchem.com/products/upf-1069.html

$$$$
(+)-JQ1.cdx
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.9352    9.3659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3657    8.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    7.1451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    7.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320    9.2213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2023    5.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    4.8440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3467    6.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9213    7.2634    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    7.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9343    5.1715    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143    3.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5179    3.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    2.8090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245    2.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2527    3.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5515    2.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2568    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6580    1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3568    2.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6540    3.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9088    8.2509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818    7.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2693    8.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667    6.4498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    8.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6266    9.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446    7.1205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375    7.5005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  2 11  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 10 24  1  6  0  0  0
M  END
>  <Mol_ID> (112)
112

>  <Formula> (112)
C23H25ClN4O2S

>  <MolWeight> (112)
456.9882

>  <Cat> (112)
S7110

>  <Name> (112)
(+)-JQ1

>  <Synonyms> (112)
N/A

>  <Target> (112)
BET

>  <Form> (112)
Free Base

>  <CAS> (112)
1268524-70-4

>  <URL> (112)
http://www.selleckchem.com/products/jq1.html

$$$$
GSK J4 HCL.cdx
csChFnd80/12261913382D

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.9570    4.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3936    2.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6930    2.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0956    3.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996    5.1221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015    5.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9688    2.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9793    0.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1969    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4041    0.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9972    6.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    6.3408    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0845    7.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809    8.7646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9726    8.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2846    7.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4796    7.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1881    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5886    6.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2795    7.5894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5705    8.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1737    8.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751    9.9638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8771    9.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7901    8.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0874    7.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    9.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7031    7.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3365    3.1160    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  7  1  0  0  0  0
  7  1  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  2  0  0  0  0
 11  3  1  0  0  0  0
  6 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
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 16 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
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (113)
113

>  <Formula> (113)
C24H28ClN5O2

>  <MolWeight> (113)
453.96442

>  <Cat> (113)
S7070

>  <Name> (113)
GSK J4 HCl

>  <Synonyms> (113)
N/A

>  <Target> (113)
Histone Demethylase

>  <Form> (113)
Hydrochloride

>  <CAS> (113)
1373423-53-0(free base)

>  <URL> (113)
http://www.selleckchem.com/products/gsk-j4-hcl.html

$$$$
Zebularine.cdx
csChFnd80/12261913382D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.3523    2.1729    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    2.1729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5647    2.8729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3085    1.4000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    3.5729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9085    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    5.6729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    6.3729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    5.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647    4.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1978    3.5753    0.0000 O   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  5  1  1  0  0  0
  1  4  1  1  0  0  0
  2  5  1  1  0  0  0
  2  6  1  0  0  0  0
  5  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  6  1  0  0  0  0
 11 16  2  0  0  0  0
M  CFW   2 BOND_GSTEREO 5
M  END
>  <Mol_ID> (114)
114

>  <Formula> (114)
C9H12N2O5

>  <MolWeight> (114)
228.20198

>  <Cat> (114)
S7113

>  <Name> (114)
Zebularine

>  <Synonyms> (114)
N/A

>  <Target> (114)
DNA Methyltransferase

>  <Form> (114)
Free Base

>  <CAS> (114)
654065

>  <URL> (114)
https://www.selleckchem.com/products/zebularine.html

$$$$
AZD 2461.cdx
csChFnd80/12261913382D

 29 32  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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   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
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 O   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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 16 18  1  0  0  0  0
 15 19  1  0  0  0  0
 10 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (115)
115

>  <Formula> (115)
C22H22FN3O3

>  <MolWeight> (115)
395.4267832

>  <Cat> (115)
S7029

>  <Name> (115)
AZD2461

>  <Synonyms> (115)
N/A

>  <Target> (115)
PARP

>  <Form> (115)
Free Base

>  <CAS> (115)
1174043-16-3

>  <URL> (115)
https://www.selleckchem.com/products/azd2461.html

$$$$
CCT129202.cdx
csChFnd80/12261913382D

 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
    4.9646    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9826    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3778    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0753    0.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9951    0.0000 N   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
    1.2082    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3243    8.5184    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2611    9.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5611   10.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   10.4802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  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 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
 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> (116)
116

>  <Formula> (116)
C23H25ClN8OS

>  <MolWeight> (116)
497.0156

>  <Cat> (116)
S1519

>  <Name> (116)
CCT129202

>  <Synonyms> (116)
N/A

>  <Target> (116)
Aurora Kinase

>  <Form> (116)
Free Base

>  <CAS> (116)
942947-93-5

>  <URL> (116)
http://www.selleckchem.com/products/CCT129202.html

$$$$
Sodium butyrate.cdx
csChFnd80/12261913382D

  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> (117)
117

>  <Formula> (117)
C4H7NaO2

>  <MolWeight> (117)
110.08695

>  <Cat> (117)
S1999

>  <Name> (117)
Sodium butyrate

>  <Synonyms> (117)
Butyric acid sodium salt

>  <Target> (117)
HDAC

>  <Form> (117)
Sodium Salt

>  <CAS> (117)
156-54-7

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

$$$$
CCT137690.cdx
csChFnd80/12261913382D

 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
   14.4811    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
  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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 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> (118)
118

>  <Formula> (118)
C26H31BrN8O

>  <MolWeight> (118)
551.48134

>  <Cat> (118)
S2744

>  <Name> (118)
CCT137690

>  <Synonyms> (118)
N/A

>  <Target> (118)
Aurora Kinase

>  <Form> (118)
Free Base

>  <CAS> (118)
1095382-05-0

>  <URL> (118)
http://www.selleckchem.com/products/cct137690.html

$$$$
Scriptaid (GCK 1026).cdx
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
    2.4165    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.2951    0.0000 C   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
    3.6331    8.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   11.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   12.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.2903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  2  0  0  0  0
 11 15  2  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
 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> (119)
119

>  <Formula> (119)
C18H18N2O4

>  <MolWeight> (119)
326.34652

>  <Cat> (119)
S8043

>  <Name> (119)
Scriptaid 

>  <Synonyms> (119)
Scriptide, GCK 1026

>  <Target> (119)
HDAC

>  <Form> (119)
Free Base

>  <CAS> (119)
287383-59-9

>  <URL> (119)
https://www.selleckchem.com/products/scriptaid.html

$$$$
EPZ004777.cdx
csChFnd80/12261913382D

 39 42  0  0  0  0  0  0  0  0999 V2000
   10.4479    5.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3221    4.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    4.7279    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9127    3.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291    4.4546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    3.6224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2196    4.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    3.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2516    1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5352    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    2.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1258    1.1258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2936    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0705    2.5046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7315    4.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8573    5.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1409    4.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6995    6.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8253    7.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4159    7.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667    5.5479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.6017    5.1262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.4153    6.2656    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5831    7.3914    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2552    6.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0047    8.7264    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8152    6.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0453    3.7983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3326    9.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3211   10.5699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861   10.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1725    9.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5507    8.4800    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.7574    9.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7459   10.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.5277   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5162   12.6798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  4 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  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 23  1  0  0  0  0
 26 28  1  1  0  0  0
 25 29  1  6  0  0  0
 24 30  1  6  0  0  0
 23 19  1  1  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 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> (120)
120

>  <Formula> (120)
C28H41N7O4

>  <MolWeight> (120)
539.66964

>  <Cat> (120)
S7353

>  <Name> (120)
EPZ004777

>  <Synonyms> (120)
N/A

>  <Target> (120)
Histone Methyltransferase

>  <Form> (120)
Free Base

>  <CAS> (120)
1338466-77-5

>  <URL> (120)
https://www.selleckchem.com/products/epz004777.html

$$$$
Bromosporine.cdx
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9220    3.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9019    3.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    8.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    9.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    9.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969    8.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  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
 10 13  2  0  0  0  0
  7 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18  7  1  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 16  2  0  0  0  0
 19 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (121)
121

>  <Formula> (121)
C17H20N6O4S

>  <MolWeight> (121)
404.4435

>  <Cat> (121)
S7233

>  <Name> (121)
Bromosporine

>  <Synonyms> (121)
N/A

>  <Target> (121)
Epigenetic Reader Domain

>  <Form> (121)
Free Base

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

$$$$
EPZ005687.cdx
csChFnd80/12261913382D

 40 45  0  0  0  0  0  0  0  0999 V2000
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856   10.1641    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085   11.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0856   12.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   11.9967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   10.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 10 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 10  1  0  0  0  0
  5 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
 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 37  1  0  0  0  0
 37 32  1  0  0  0  0
 16 38  2  0  0  0  0
 18 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
>  <Mol_ID> (122)
122

>  <Formula> (122)
C32H37N5O3

>  <MolWeight> (122)
539.66788

>  <Cat> (122)
S7004

>  <Name> (122)
EPZ005687

>  <Synonyms> (122)
N/A

>  <Target> (122)
Histone Methyltransferase

>  <Form> (122)
Free Base

>  <CAS> (122)
1396772-26-1

>  <URL> (122)
http://www.selleckchem.com/products/epz005687.html

$$$$
GSK525762 (I-BET-762).cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    5.9828    8.5482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3458    8.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8959    7.0133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2232    5.6454    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8409    5.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8092    6.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    5.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3952    6.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4009    7.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6481    8.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2352   10.4452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1022    9.3524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841   10.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8545   10.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1827    5.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4622    4.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1056    3.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7346    2.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7170    1.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0720    1.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4446    3.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3383    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1125    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5374    7.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    5.6157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7498    7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9623    7.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  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
  7 11  2  0  0  0  0
  6  8  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
  9 16  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
 21 24  1  0  0  0  0
  5 18  1  0  0  0  0
  3 25  1  6  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  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (123)
123

>  <Formula> (123)
C22H22ClN5O2

>  <MolWeight> (123)
423.89538

>  <Cat> (123)
S7189

>  <Name> (123)
I-BET-762

>  <Synonyms> (123)
GSK525762, GSK525762A

>  <Target> (123)
Epigenetic Reader Domain

>  <Form> (123)
Free Base

>  <CAS> (123)
1260907-17-2

>  <URL> (123)
http://www.selleckchem.com/products/i-bet-762.html

$$$$
BIO (6-bromoindirubin-3-oxime).cdx
csChFnd80/12261913382D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    4.9282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    5.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9793    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8021    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1336    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1336    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8021    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1740    4.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8830    5.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5515    5.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5111    4.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9234    6.4071    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3695    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  8 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  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 16  1  0  0  0  0
 18 21  1  0  0  0  0
 13 22  2  0  0  0  0
M  END
>  <Mol_ID> (124)
124

>  <Formula> (124)
C16H10BrN3O2

>  <MolWeight> (124)
356.1735

>  <Cat> (124)
S7198

>  <Name> (124)
BIO

>  <Synonyms> (124)
GSK-3 Inhibitor IX, 6-bromoindirubin-3-oxime

>  <Target> (124)
GSK-3

>  <Form> (124)
Free Base

>  <CAS> (124)
667463-62-9

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

$$$$
RGFP966.cdx
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
   14.9843    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9843    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1968    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4092    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4092    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1968    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7719    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5595    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3470    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5595    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1346    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9222    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1968    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6217    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7758    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4064    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7064    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6432    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3141    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4688    4.2407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0797    4.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2344    5.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783    6.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9330    7.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439    7.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453    5.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
  6 13  1  0  0  0  0
  4 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 12  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (125)
125

>  <Formula> (125)
C21H19FN4O

>  <MolWeight> (125)
362.4001632

>  <Cat> (125)
S7229

>  <Name> (125)
RGFP966

>  <Synonyms> (125)
N/A

>  <Target> (125)
HDAC

>  <Form> (125)
Free Base

>  <CAS> (125)
1396841-57-8

>  <URL> (125)
http://www.selleckchem.com/products/rgfp966.html

$$$$
ZM39923 HCl.cdx
csChFnd80/12261913382D

 26 27  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7377    0.0634    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  1  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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
  5 14  2  0  0  0  0
  9 14  1  0  0  0  0
  1  6  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 15 16  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 20 25  2  0  0  0  0
 15 19  1  0  0  0  0
  3 15  1  0  0  0  0
M  END
>  <Mol_ID> (126)
126

>  <Formula> (126)
C23H26ClNO

>  <MolWeight> (126)
367.91164

>  <Cat> (126)
S8004

>  <Name> (126)
ZM 39923 HCl

>  <Synonyms> (126)
N/A

>  <Target> (126)
JAK

>  <Form> (126)
HCl

>  <CAS> (126)
1021868-92-7

>  <URL> (126)
http://www.selleckchem.com/products/zm-39923-hcl.html

$$$$
SGC 0946.cdx
csChFnd80/12261913382D

 40 43  0  0  0  0  0  0  0  0999 V2000
    2.4248    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    2.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6414    2.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    1.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0704    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    2.1023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    0.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    2.1023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    2.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9199    4.2022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    4.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    6.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1323    4.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3797    4.2666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.5994    2.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.9869    2.6593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6246    3.9110    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6313    4.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0074    4.1300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    1.8892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6224    1.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0007    3.1366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2524    3.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0325    5.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6451    5.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9273    1.7338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1054    0.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3570    1.6065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.4306    3.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6779    3.6448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.0224    6.1518    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  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 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
 33 40  1  0  0  0  0
M  END
>  <Mol_ID> (127)
127

>  <Formula> (127)
C28H40BrN7O4

>  <MolWeight> (127)
618.5657

>  <Cat> (127)
S7079

>  <Name> (127)
SGC 0946

>  <Synonyms> (127)
N/A

>  <Target> (127)
Histone Methyltransferase

>  <Form> (127)
Free Base

>  <URL> (127)
http://www.selleckchem.com/products/sgc-0946.html

$$$$
Ro 31-8220 mesylate.cdx
csChFnd80/12261913382D

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.3410    6.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9738    6.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5518    7.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4906    8.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8477    8.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2671    7.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    5.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7077    6.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1569    7.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3432    8.8896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8062   10.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8380    4.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499    3.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0499    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2622    1.3845    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.1408   10.6558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6652   11.0566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4244    8.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9431    6.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    6.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353    7.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920    8.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    5.6058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882    6.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578    7.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9778    8.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331   10.2390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014   10.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4517    4.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4746    2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4746    3.4844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871    1.3844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4533    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0533    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 17 28  1  0  0  0  0
 10 27  2  0  0  0  0
 24 30  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (128)
128

>  <Formula> (128)
C26H27N5O5S2

>  <MolWeight> (128)
553.65308

>  <Cat> (128)
S7207

>  <Name> (128)
Ro 31-8220 Mesylate

>  <Synonyms> (128)
Bisindolylmaleimide IX Mesylate

>  <Target> (128)
PKC

>  <Form> (128)
Mesylate

>  <CAS> (128)
138489-18-6

>  <URL> (128)
http://www.selleckchem.com/products/ro-31-8220-mesylate.html

$$$$
SGI-1027.cdx
csChFnd80/12261913382D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 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
    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
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    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
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  6  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
>  <Mol_ID> (129)
129

>  <Formula> (129)
C27H23N7O

>  <MolWeight> (129)
461.51782

>  <Cat> (129)
S7276

>  <Name> (129)
SGI-1027

>  <Synonyms> (129)
DNA Methyltransferase Inhibitor II

>  <Target> (129)
DNA Methyltransferase

>  <Form> (129)
Free Base

>  <CAS> (129)
1020149-73-8

>  <URL> (129)
http://www.selleckchem.com/products/sgi-1027.html

$$$$
Dorsomorphin dihydrochloride(BML-275,Compound C).cdx
csChFnd80/12261913382D

 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
   10.2024    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6273    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6273    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4149    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9900    8.6271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7776    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5651    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527    7.9271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402    8.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    7.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8397    5.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8397    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522    3.7271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2646    4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2646    5.8271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0522    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4190    5.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5961    6.2597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0287    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5245    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8940    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8307    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
  4 16  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  1  0  0  0  0
 21 16  2  0  0  0  0
 19 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 20  1  0  0  0  0
 16 17  1  0  0  0  0
 21 20  1  0  0  0  0
 19 18  1  0  0  0  0
 22 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
M  END
>  <Mol_ID> (130)
130

>  <Formula> (130)
C24H27Cl2N5O

>  <MolWeight> (130)
472.41008

>  <Cat> (130)
S7306

>  <Name> (130)
Dorsomorphin (Compound C) 2HCl

>  <Synonyms> (130)
BML-275,Compound C

>  <Target> (130)
AMPK

>  <Form> (130)
Dihydrochloride

>  <CAS> (130)
1219168-18-9

>  <URL> (130)
http://www.selleckchem.com/products/dorsomorphin-2hcl.html

$$$$
EPZ-6438 (E7438).cdx
csChFnd80/12261913382D

 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
    2.4207   11.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   11.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455   12.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   13.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2854    0.0000 C   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
    4.8413    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4207    4.1951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784   11.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991   11.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073   10.4757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3073    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322    9.0757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7322   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5198   11.1757    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
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 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
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  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 26  1  0  0  0  0
 26 21  2  0  0  0  0
 22 27  2  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
 14 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
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
M  END
>  <Mol_ID> (131)
131

>  <Formula> (131)
C34H44N4O4

>  <MolWeight> (131)
572.73756

>  <Cat> (131)
S7128

>  <Name> (131)
Tazemetostat (EPZ-6438)

>  <Synonyms> (131)
E7438

>  <Target> (131)
Histone Methyltransferase

>  <Form> (131)
Free Base

>  <CAS> (131)
1403254-99-8

>  <URL> (131)
http://www.selleckchem.com/products/epz-6438.html

$$$$
RVX-208(RVX-000222).cdx
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   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
    8.4870    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
   10.9119    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
    9.6995    7.0000    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
    9.6995    8.4000    0.0000 C   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
   12.1244    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
   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  1  0  0  0  0
  7 15  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 18 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (132)
132

>  <Formula> (132)
C20H22N2O5

>  <MolWeight> (132)
370.39908

>  <Cat> (132)
S7295

>  <Name> (132)
RVX-208(RVX-000222)

>  <Synonyms> (132)
RVX-000222

>  <Target> (132)
Epigenetic Reader Domain

>  <Form> (132)
Free Base

>  <CAS> (132)
1044870-39-4

>  <URL> (132)
http://www.selleckchem.com/products/rvx-208.html

$$$$
XL019.cdx
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.7976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    4.1976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    8.3903    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4207   10.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7752    6.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1446    6.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8446    7.9193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9079    8.9597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  1  0  0  0
M  END
>  <Mol_ID> (133)
133

>  <Formula> (133)
C25H28N6O2

>  <MolWeight> (133)
444.52882

>  <Cat> (133)
S7036

>  <Name> (133)
XL019

>  <Synonyms> (133)
N/A

>  <Target> (133)
JAK

>  <Form> (133)
Free Base

>  <CAS> (133)
945755-56-6

>  <URL> (133)
http://www.selleckchem.com/products/xl019.html

$$$$
UNC1999.cdx
csChFnd80/12261913382D

 42 46  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 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
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 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
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    5.8674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2787    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4558    8.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8885    4.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9517    3.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2579    4.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 N   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
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865   12.6000    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
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  5 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
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 20 28  1  0  0  0  0
 28 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 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 37 38  2  0  0  0  0
 35 39  1  0  0  0  0
 33 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
>  <Mol_ID> (134)
134

>  <Formula> (134)
C33H43N7O2

>  <MolWeight> (134)
569.74022

>  <Cat> (134)
S7165

>  <Name> (134)
UNC1999

>  <Synonyms> (134)
N/A

>  <Target> (134)
Histone Methyltransferase

>  <Form> (134)
Free Base

>  <CAS> (134)
1431612-23-5

>  <URL> (134)
http://www.selleckchem.com/products/unc1999.html

$$$$
JIB04 (NSC693627).cdx
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    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
    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 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 16  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (135)
135

>  <Formula> (135)
C17H13ClN4

>  <MolWeight> (135)
308.76492

>  <Cat> (135)
S7281

>  <Name> (135)
JIB04 (NSC693627)

>  <Synonyms> (135)
NSC693627

>  <Target> (135)
Histone demethylases

>  <Form> (135)
Free Base

>  <CAS> (135)
199596-05-9

>  <URL> (135)
http://www.selleckchem.com/products/jib-04.html

$$$$
MM-102.cdx
csChFnd80/12261913382D

 48 50  0  0  0  0  0  0  0  0999 V2000
    8.6543   11.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2919   10.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4661    9.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5541   10.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0524   11.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4761    8.7414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4560    8.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0937    7.3891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8083    9.1037    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7983    8.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1506    8.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4359    6.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1405    7.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4928    7.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8552    9.2008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8652   10.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5129    9.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0836    6.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7213    5.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7112    4.0569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0635    4.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4259    5.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2074    9.5632    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3489    2.7046    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1138    7.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7615    7.0267    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1037    6.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715    8.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3991    5.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4192    7.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4293    8.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    6.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6945    4.9497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    7.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693    5.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    4.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9799    3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    5.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    6.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821    8.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693    4.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3891    4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0267    3.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6543    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6443    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3020    0.6276    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
  3  6  1  0  0  0  0
  3  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
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
 12 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 12  1  0  0  0  0
 15 23  1  0  0  0  0
 20 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  6  0  0  0
 26 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 34 41  1  0  0  0  0
 35 42  1  0  0  0  0
 29 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 47  1  0  0  0  0
 46 48  2  0  0  0  0
M  END
>  <Mol_ID> (136)
136

>  <Formula> (136)
C35H49F2N7O4

>  <MolWeight> (136)
669.8048664

>  <Cat> (136)
S7265

>  <Name> (136)
MM-102

>  <Synonyms> (136)
HMTase Inhibitor IX

>  <Target> (136)
Histone Methyltransferase

>  <Form> (136)
Free Base

>  <CAS> (136)
1417329-24-8

>  <URL> (136)
http://www.selleckchem.com/products/mm-102.html

$$$$
Pacritinib (SB1518).cdx
csChFnd80/12261913382D

 35 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.9927    0.0000 C   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
    4.8455    9.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.9951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    6.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.0024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    2.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    2.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    2.1049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2539    0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6233    0.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3233    1.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3865    2.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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  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
  4 27  1  0  0  0  0
 23 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 31  1  0  0  0  0
M  END
>  <Mol_ID> (137)
137

>  <Formula> (137)
C28H32N4O3

>  <MolWeight> (137)
472.57868

>  <Cat> (137)
S8057

>  <Name> (137)
Pacritinib (SB1518)

>  <Synonyms> (137)
N/A

>  <Target> (137)
JAK

>  <Form> (137)
Free Base

>  <CAS> (137)
937272-79-2

>  <URL> (137)
http://www.selleckchem.com/products/pacritinib-sb1518.html

$$$$
RG2833 (RGFP109).cdx
csChFnd80/12261913382D

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (138)
138

>  <Formula> (138)
C20H25N3O2

>  <MolWeight> (138)
339.4314

>  <Cat> (138)
S7292

>  <Name> (138)
RG2833 (RGFP109)

>  <Synonyms> (138)
N/A

>  <Target> (138)
HDAC

>  <Form> (138)
Free Base

>  <CAS> (138)
1215493-56-3

>  <URL> (138)
http://www.selleckchem.com/products/rg2833-rgfp109.html

$$$$
WZ4003.cdx
csChFnd80/12261913382D

 35 38  0  0  0  0  0  0  0  0999 V2000
    4.8497   11.9000    0.0000 N   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
    6.0622    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 N   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
    2.4249    7.7000    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    5.6000    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
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  9 14  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
 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
  5 23  1  0  0  0  0
  4 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 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
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (139)
139

>  <Formula> (139)
C25H29ClN6O3

>  <MolWeight> (139)
496.98916

>  <Cat> (139)
S7317

>  <Name> (139)
WZ4003

>  <Synonyms> (139)
N/A

>  <Target> (139)
AMPK

>  <Form> (139)
Free Base

>  <CAS> (139)
1214265-58-3

>  <URL> (139)
http://www.selleckchem.com/products/wz4003.html

$$$$
SGC-CBP30.cdx
csChFnd80/12261913382D

 36 40  0  0  0  0  0  0  0  0999 V2000
    3.4282    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    2.5965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    3.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    4.8617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    6.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    6.4843    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9233    5.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    7.8158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4074    3.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3074    2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    3.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    3.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7074    2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3074    0.0918    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.4074    3.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8581    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886    8.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    9.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844   10.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9150   10.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    8.8562    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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 25  2  0  0  0  0
 26 30  1  0  0  0  0
 29 31  1  0  0  0  0
 13 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 13  1  0  0  0  0
M  END
>  <Mol_ID> (140)
140

>  <Formula> (140)
C28H33ClN4O3

>  <MolWeight> (140)
509.03962

>  <Cat> (140)
S7256

>  <Name> (140)
SGC-CBP30

>  <Synonyms> (140)
N/A

>  <Target> (140)
Epigenetic Reader Domain

>  <Form> (140)
Free Base

>  <URL> (140)
http://www.selleckchem.com/products/sgc-cbp30.html

$$$$
MK8745.cdx
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7976    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6827    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    4.1951    0.0000 N   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
   14.5905    4.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5273    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8273    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4579    6.2850    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  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
  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 10  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 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 25  1  0  0  0  0
M  END
>  <Mol_ID> (141)
141

>  <Formula> (141)
C20H19ClFN5OS

>  <MolWeight> (141)
431.9141632

>  <Cat> (141)
S7065

>  <Name> (141)
MK8745

>  <Synonyms> (141)
N/A

>  <Target> (141)
Aurora Kinase

>  <Form> (141)
Free Base

>  <CAS> (141)
885325-71-3

>  <URL> (141)
http://www.selleckchem.com/products/mk-8745.html

$$$$
LM-3229 ME 0328.cdx
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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    3.5000    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 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
    4.8497    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  6  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 24  2  0  0  0  0
 24 18  1  0  0  0  0
M  END
>  <Mol_ID> (142)
142

>  <Formula> (142)
C19H19N3O2

>  <MolWeight> (142)
321.37306

>  <Cat> (142)
S7438

>  <Name> (142)
ME0328

>  <Synonyms> (142)
N/A

>  <Target> (142)
PARP

>  <Form> (142)
Free Base

>  <CAS> (142)
1445251-22-8

>  <URL> (142)
http://www.selleckchem.com/products/me0328.html

$$$$
UNC669.cdx
csChFnd80/12261913382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 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  1  0  0  0  0
M  END
>  <Mol_ID> (143)
143

>  <Formula> (143)
C15H20BrN3O

>  <MolWeight> (143)
338.2428

>  <Cat> (143)
S7373

>  <Name> (143)
UNC669

>  <Synonyms> (143)
N/A

>  <Target> (143)
Epigenetic Reader Domain

>  <Form> (143)
Free Base

>  <CAS> (143)
1314241-44-5

>  <URL> (143)
http://www.selleckchem.com/products/unc669.html

$$$$
OTX015.cdx
csChFnd80/12261913382D

 34 38  0  0  0  0  0  0  0  0999 V2000
    3.6699    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0948    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0948    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1437    6.2074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4553    7.5723    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5824    8.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    8.6669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3095    7.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    6.2074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9151    7.6978    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649    6.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4192    5.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2937    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0150    9.9984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824   10.8213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7498    9.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4183   10.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202    7.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7724    6.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1373    7.1691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3598    5.5198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0896    6.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6769    4.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6291    3.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9940    4.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4067    5.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4545    6.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9463    3.0640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 13  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 10 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 11  1  0  0  0  0
 21 22  1  0  0  0  0
  9 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 25 27  1  0  0  0  0
 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
  3 34  1  0  0  0  0
M  END
>  <Mol_ID> (144)
144

>  <Formula> (144)
C25H22ClN5O2S

>  <MolWeight> (144)
491.99248

>  <Cat> (144)
S7360

>  <Name> (144)
OTX015

>  <Synonyms> (144)
N/A

>  <Target> (144)
BET

>  <Form> (144)
Free Base

>  <CAS> (144)
202590-98-5

>  <URL> (144)
http://www.selleckchem.com/products/otx015.html

$$$$
LM-3267.cdx
csChFnd80/12261913382D

 25 26  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    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  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (145)
145

>  <Formula> (145)
C19H23N3O3

>  <MolWeight> (145)
341.40422

>  <Cat> (145)
S7473

>  <Name> (145)
Nexturastat A

>  <Synonyms> (145)
N/A

>  <Target> (145)
Nexturastat A

>  <Form> (145)
Free Base

>  <CAS> (145)
1403783-31-2

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

$$$$
Dimethyloxalylglycine (DMOG).cdx
csChFnd80/12261913382D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END
>  <Mol_ID> (146)
146

>  <Formula> (146)
C6H9NO5

>  <MolWeight> (146)
175.13936

>  <Cat> (146)
S7483

>  <Name> (146)
DMOG

>  <Synonyms> (146)
Dimethyloxalylglycine

>  <Target> (146)
Hydroxylase

>  <Form> (146)
Free Base

>  <CAS> (146)
89464-63-1

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

$$$$
OG-L002.cdx
csChFnd80/12261913382D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6746    6.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9746    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 14 11  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 14  1  0  0  0  0
 15 17  1  6  0  0  0
M  END
>  <Mol_ID> (147)
147

>  <Formula> (147)
C15H15NO

>  <MolWeight> (147)
225.2857

>  <Cat> (147)
S7237

>  <Name> (147)
OG-L002

>  <Synonyms> (147)
N/A

>  <Target> (147)
Histone demethylases

>  <Form> (147)
Free Base

>  <CAS> (147)
1357302-64-7

>  <URL> (147)
http://www.selleckchem.com/products/og-l002.html

$$$$
C646.cdx
csChFnd80/12261913382D

 33 36  0  0  0  0  0  0  0  0999 V2000
    1.2082    8.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.5063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    9.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.8087    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    7.5087    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8413    9.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1203    9.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0571   10.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3571   11.2873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9877   10.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4446    9.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0120    8.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3120    7.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2488    6.4017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5278    6.9711    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3814    8.3634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9245    7.2962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4182    9.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9587    5.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6273    4.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3362    3.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3766    2.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7081    2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9991    4.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0865    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1233    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7597    0.5024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 18  1  0  0  0  0
 19 23  2  0  0  0  0
 22 24  1  0  0  0  0
 20 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
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (148)
148

>  <Formula> (148)
C24H19N3O6

>  <MolWeight> (148)
445.42416

>  <Cat> (148)
S7152

>  <Name> (148)
C646

>  <Synonyms> (148)
N/A

>  <Target> (148)
Histone Acetyltransferase

>  <Form> (148)
Free Base

>  <CAS> (148)
328968-36-1

>  <URL> (148)
http://www.selleckchem.com/products/c646.html

$$$$
UNC1215.cdx
csChFnd80/12261913382D

 39 44  0  0  0  0  0  0  0  0999 V2000
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9113    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2807    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9807    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0439    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  5 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 14 26  2  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 28  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 35  1  0  0  0  0
M  END
>  <Mol_ID> (149)
149

>  <Formula> (149)
C32H43N5O2

>  <MolWeight> (149)
529.71612

>  <Cat> (149)
S7088

>  <Name> (149)
UNC1215

>  <Synonyms> (149)
N/A

>  <Target> (149)
Epigenetic Reader Domain

>  <Form> (149)
Free Base

>  <CAS> (149)
1415800-43-9

>  <URL> (149)
http://www.selleckchem.com/products/nuc1215.html

$$$$
IOX1.cdx
csChFnd80/12261913382D

 14 15  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 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
    4.8497    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <Mol_ID> (150)
150

>  <Formula> (150)
C10H7NO3

>  <MolWeight> (150)
189.16748

>  <Cat> (150)
S7234

>  <Name> (150)
IOX1

>  <Synonyms> (150)
N/A

>  <Target> (150)
Histone demethylases

>  <Form> (150)
Free Base

>  <CAS> (150)
5852-78-8

>  <URL> (150)
http://www.selleckchem.com/products/iox1.html

$$$$
AZD1208.cdx
csChFnd80/12261913382D

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6081    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6703    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    8.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    6.4306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5021    9.3291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.3246    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
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  1  0  0  0
  7 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  7  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (151)
151

>  <Formula> (151)
C21H21N3O2S

>  <MolWeight> (151)
379.47534

>  <Cat> (151)
S7104

>  <Name> (151)
AZD1208

>  <Synonyms> (151)
N/A

>  <Target> (151)
Pim

>  <Form> (151)
Free Base

>  <CAS> (151)
1204144-28-4

>  <URL> (151)
http://www.selleckchem.com/products/azd-1208.html

$$$$
CX-6258 HCl .cdx
csChFnd80/12261913382D

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.5195    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5195    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    1.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    1.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9379    4.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6001    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0886    2.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7886    1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1730    0.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    1.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    5.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1568    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4358    3.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3726    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6726    5.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3032    5.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2420    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4191    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8517    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7191   10.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5865    9.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0191    8.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2171    9.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2803    8.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7129    7.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    7.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7761    6.3017    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1832    9.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9013    1.2195    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
 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  8  1  0  0  0  0
  7 15  2  0  0  0  0
 12 16  1  0  0  0  0
  5 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 17  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 27  1  0  0  0  0
 30 32  1  0  0  0  0
 24 33  2  0  0  0  0
M  END
>  <Mol_ID> (152)
152

>  <Formula> (152)
C26H25Cl2N3O3

>  <MolWeight> (152)
498.401

>  <Cat> (152)
S7041

>  <Name> (152)
CX-6258 HCl

>  <Synonyms> (152)
N/A

>  <Target> (152)
Pim

>  <Form> (152)
Hydrochloride

>  <CAS> (152)
1353859-00-3

>  <URL> (152)
http://www.selleckchem.com/products/CX-6258.html

$$$$
CPI203 .cdx
csChFnd80/12261913382D

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.3980    6.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2798    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5865    6.3316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    7.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1597    8.0910    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7258    5.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0723    5.9015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120    7.1933    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9385    8.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5590    8.6593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918    9.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6161   10.6628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3597   10.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4871    4.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    3.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9343    2.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0097    1.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3237    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5624    3.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7710    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   10.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0100    7.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6447    8.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8814    9.6889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0427    8.5896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 10  1  0  0  0  0
  6 14  1  0  0  0  0
  2 15  1  0  0  0  0
  1 16  1  0  0  0  0
 14 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 14  1  0  0  0  0
 19 22  1  0  0  0  0
 13 23  1  0  0  0  0
  8 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (153)
153

>  <Formula> (153)
C19H18ClN5OS

>  <MolWeight> (153)
399.89712

>  <Cat> (153)
S7304

>  <Name> (153)
CPI-203

>  <Synonyms> (153)
N/A

>  <Target> (153)
Epigenetic Reader Domain

>  <Form> (153)
Free Base

>  <CAS> (153)
1446144-04-2

>  <URL> (153)
http://www.selleckchem.com/products/cpi-203.html

$$$$
TMP269.cdx
csChFnd80/12261913382D

 36 40  0  0  0  0  0  0  0  0999 V2000
    6.2205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4951    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7076    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9200    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9200    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7076    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4951    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6277    4.3229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1951    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7951    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3625    4.3229    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4923    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    1.8457    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771    4.2573    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0180    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4104    6.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2333    7.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6638    9.0522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2715    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4486    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 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
 12 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
  7 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26  7  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 20 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
M  END
>  <Mol_ID> (154)
154

>  <Formula> (154)
C25H21F3N4O3S

>  <MolWeight> (154)
514.5194496

>  <Cat> (154)
S7324

>  <Name> (154)
TMP269

>  <Synonyms> (154)
N/A

>  <Target> (154)
HDAC

>  <Form> (154)
Free Base

>  <CAS> (154)
1314890-29-3

>  <URL> (154)
http://www.selleckchem.com/products/tmp269.html

$$$$
MG149.cdx
csChFnd80/12261913382D

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 11 18  1  0  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 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> (155)
155

>  <Formula> (155)
C22H28O3

>  <MolWeight> (155)
340.45592

>  <Cat> (155)
S7476

>  <Name> (155)
MG149

>  <Synonyms> (155)
N/A

>  <Target> (155)
Histone Acetyltransferase

>  <Form> (155)
Free Base

>  <CAS> (155)
1243583-85-8

>  <URL> (155)
http://www.selleckchem.com/products/mg149.html

$$$$
BAY 87-2243.cdx
csChFnd80/12261913382D

 38 43  0  0  0  0  0  0  0  0999 V2000
    6.2499    6.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2499    5.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    4.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6748    5.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6748    6.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    7.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375    7.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0361    8.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232    9.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122    8.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108    7.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8232    6.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998    9.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7007   10.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    3.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6748    2.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1877    0.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8877    1.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9534    2.8957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7767    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2801    2.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    0.9619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4971    1.5291    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3495    2.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9823    3.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3893    3.8611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7211    3.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7612    4.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4701    5.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1387    6.1673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0983    5.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5100    6.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8417    6.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1735    5.8085    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   19.4099    4.9085    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   20.2735    7.5720    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 18 22  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  2  0  0  0  0
 26 27  1  0  0  0  0
 27 23  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
>  <Mol_ID> (156)
156

>  <Formula> (156)
C26H26F3N7O2

>  <MolWeight> (156)
525.5255496

>  <Cat> (156)
S7309

>  <Name> (156)
BAY 87-2243

>  <Synonyms> (156)
N/A

>  <Target> (156)
HIF

>  <Form> (156)
Free Base

>  <CAS> (156)
1227158-85-1

>  <URL> (156)
http://www.selleckchem.com/products/bay-87-2243.html

$$$$
Go6976.cdx
csChFnd80/12261913382D

 29 34  0  0  0  0  0  0  0  0999 V2000
    5.8907    8.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4924    8.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    7.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6111    5.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0094    6.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6492    7.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9961    5.0308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2456    5.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0312    7.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991    6.7743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211    5.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7264    4.8704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2576    9.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0860   10.5635    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950    9.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5509    5.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6419    6.0334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275    7.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222    7.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3275    7.5408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0780    6.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1716    4.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0842    3.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440   10.0530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7724    3.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8574    2.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6338    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4101    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
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  6  1  0  0  0  0
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  4  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  2  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  9  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 11  1  0  0  0  0
 12 24  1  0  0  0  0
 15 25  2  0  0  0  0
  7 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  3  0  0  0  0
M  END
>  <Mol_ID> (157)
157

>  <Formula> (157)
C24H18N4O

>  <MolWeight> (157)
378.42592

>  <Cat> (157)
S7119

>  <Name> (157)
Go6976

>  <Synonyms> (157)
N/A

>  <Target> (157)
PKC

>  <Form> (157)
Free Base

>  <CAS> (157)
136194-77-9

>  <URL> (157)
http://www.selleckchem.com/products/go6976.html

$$$$
CAY10683 (Santacruzamate A).cdx
csChFnd80/12261913382D

 20 20  0  0  0  0  0  0  0  0999 V2000
   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
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (158)
158

>  <Formula> (158)
C15H22N2O3

>  <MolWeight> (158)
278.34678

>  <Cat> (158)
S7595

>  <Name> (158)
Santacruzamate A (CAY10683)

>  <Synonyms> (158)
N/A

>  <Target> (158)
HDAC

>  <Form> (158)
Free Base

>  <CAS> (158)
1477949-42-0

>  <URL> (158)
http://www.selleckchem.com/products/santacruzamate-a-cay10683.html

$$$$
filgotinib.cdx
csChFnd80/12261913382D

 30 34  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    3.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2917    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 S   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
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  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
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 18  1  0  0  0  0
 10 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  2  0  0  0  0
M  END
>  <Mol_ID> (159)
159

>  <Formula> (159)
C21H23N5O3S

>  <MolWeight> (159)
425.50402

>  <Cat> (159)
S7605

>  <Name> (159)
Filgotinib£¨GLPG0643)

>  <Synonyms> (159)
N/A

>  <Target> (159)
JAK

>  <Form> (159)
Free Base

>  <CAS> (159)
1206161-97-8

>  <URL> (159)
http://www.selleckchem.com/products/filgotinib.html

$$$$
PFI-3.cdx
csChFnd80/12261913382D

 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
    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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  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
 11 16  1  1  0  0  0
 14 16  1  1  0  0  0
  7 17  2  0  0  0  0
  4 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (160)
160

>  <Formula> (160)
C19H19N3O2

>  <MolWeight> (160)
321.37306

>  <Cat> (160)
S7315

>  <Name> (160)
PFI-3

>  <Synonyms> (160)
N/A

>  <Target> (160)
Epigenetic Reader Domain

>  <Form> (160)
Free Base

>  <URL> (160)
http://www.selleckchem.com/products/pfi-3.html

$$$$
Tasquinimod .cdx
csChFnd80/12261913382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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    3.5000    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 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
    4.8497    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
    6.0622    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  2  0  0  0  0
 10 12  1  0  0  0  0
  6 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 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
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 19  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (161)
161

>  <Formula> (161)
C20H17F3N2O4

>  <MolWeight> (161)
406.3551896

>  <Cat> (161)
S7617

>  <Name> (161)
Tasquinimod

>  <Synonyms> (161)
ABR-215050

>  <Target> (161)
HDAC

>  <Form> (161)
Free Base

>  <CAS> (161)
254964-60-8

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

$$$$
AGK 2.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8229    2.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4563    3.5832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5828    1.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451    3.6588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6965    4.7533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5427    4.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9382    4.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6294    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    7.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5206    7.2943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8294    6.0768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6471    3.6725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0470    3.6827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7382    4.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0297    6.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    2.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6699    3.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1903    4.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1150    5.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9276    4.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2733    3.4903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6214    5.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3921    6.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814    7.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2293    4.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    4.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    3.0479    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8529    8.5627    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
  3  4  3  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 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
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (162)
162

>  <Formula> (162)
C23H13Cl2N3O2

>  <MolWeight> (162)
434.27422

>  <Cat> (162)
S7577

>  <Name> (162)
AGK2

>  <Synonyms> (162)
N/A

>  <Target> (162)
Sirtuin

>  <Form> (162)
Free Base

>  <CAS> (162)
304896-28-4

>  <URL> (162)
http://www.selleckchem.com/products/agk2.html

$$$$
Anacardic Acid.cdx
csChFnd80/12261913382D

 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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    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> (163)
163

>  <Formula> (163)
C22H36O3

>  <MolWeight> (163)
348.51944

>  <Cat> (163)
S7582

>  <Name> (163)
Anacardic Acid

>  <Synonyms> (163)
6-pentadecylsalicylic Acid

>  <Target> (163)
Histone Acetyltransferase

>  <Form> (163)
Free Base

>  <CAS> (163)
16611-84-0

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

$$$$
Splitomicin.cdx
csChFnd80/12261913382D

 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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 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> (164)
164

>  <Formula> (164)
C13H10O2

>  <MolWeight> (164)
198.2173

>  <Cat> (164)
S7593

>  <Name> (164)
Splitomicin

>  <Synonyms> (164)
N/A

>  <Target> (164)
Sirtuin

>  <Form> (164)
Free Base

>  <CAS> (164)
1384339

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

$$$$
PFI-2.cdx
csChFnd80/12261913382D

 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
    7.2746    3.5544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2544    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6995    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5544    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   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
   10.8321    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
  3 11  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 12 18  2  0  0  0  0
 12 19  2  0  0  0  0
 14 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 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> (165)
165

>  <Formula> (165)
C23H25F4N3O3S

>  <MolWeight> (165)
499.5215128

>  <Cat> (165)
S7294

>  <Name> (165)
PFI-2 HCl

>  <Synonyms> (165)
N/A

>  <Target> (165)
Histone Methyltransferase

>  <Form> (165)
Hydrochloride

>  <CAS> (165)
1627676-59-8

>  <URL> (165)
http://www.selleckchem.com/products/pfi-2.html

$$$$
MI-3.cdx
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.8876   11.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    9.8067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    9.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124   11.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   11.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439    9.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4668   10.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6439   11.6393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8876    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.9067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    5.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9674    2.6838    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5668    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (166)
166

>  <Formula> (166)
C18H25N5S2

>  <MolWeight> (166)
375.5546

>  <Cat> (166)
S7619

>  <Name> (166)
MI-3 (Menin-MLL Inhibitor)

>  <Synonyms> (166)
N/A

>  <Target> (166)
Histone Methyltransferase

>  <Form> (166)
Free Base

>  <CAS> (166)
1271738-59-0

>  <URL> (166)
http://www.selleckchem.com/products/mi-3-menin-mll-inhibitor.html

$$$$
Remodelin.cdx
csChFnd80/12261913382D

 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
    4.0438    4.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3771    6.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8655    2.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1263    1.8971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0947    2.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4325    4.1415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4819    2.7187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0115    1.4228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3987    1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0609    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4386    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6279    1.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3671    2.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0432    6.3406    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  3  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
M  CFW  16 B_NG_STER 2
M  END
>  <Mol_ID> (167)
167

>  <Formula> (167)
C15H15BrN4S

>  <MolWeight> (167)
363.2754

>  <Cat> (167)
S7641

>  <Name> (167)
Remodelin

>  <Synonyms> (167)
N/A

>  <Target> (167)
Histone Acetyltransferase

>  <Form> (167)
hydrochloride salt

>  <CAS> (167)
1622921-15-6

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

$$$$
GF 109203X(G 6850).cdx
csChFnd80/12261913382D

 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
    2.9397    7.7526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0043    8.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    8.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2224    7.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6455    5.5943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7793    6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3486    7.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1743    8.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7462   10.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6422    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281    3.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193   10.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8774   11.0316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1622    8.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5994    7.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6662    6.1615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2958    6.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8586    7.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7918    8.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1660    5.6211    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223    6.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4337    7.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6028    8.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0099   10.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3365   10.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  3  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 24  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 17 30  1  0  0  0  0
 10 29  2  0  0  0  0
M  END
>  <Mol_ID> (168)
168

>  <Formula> (168)
C25H24N4O2

>  <MolWeight> (168)
412.48366

>  <Cat> (168)
S7208

>  <Name> (168)
Bisindolylmaleimide I (GF109203X)

>  <Synonyms> (168)
GO 6850

>  <Target> (168)
PKC

>  <Form> (168)
Free Base

>  <CAS> (168)
133052-90-1

>  <URL> (168)
http://www.selleckchem.com/products/gf109203x.html

$$$$
PJ34.cdx
csChFnd80/12261913382D

 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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 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
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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    4.9000    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    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8142    4.2576    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  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 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  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
 17 21  2  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <Mol_ID> (169)
169

>  <Formula> (169)
C17H18ClN3O2

>  <MolWeight> (169)
331.79672

>  <Cat> (169)
S7300

>  <Name> (169)
PJ34 hcl

>  <Synonyms> (169)
N/A

>  <Target> (169)
PARP

>  <Form> (169)
Hydrochloride

>  <CAS> (169)
344458-15-7

>  <URL> (169)
http://www.selleckchem.com/products/pj34-hcl.html

$$$$
Cerdulatinib (PRT-062070).cdx
csChFnd80/12261913382D

 32 34  0  0  0  0  0  0  0  0999 V2000
   12.1244    3.5174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    6.6798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    7.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7244    6.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5174    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2315    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  2  0  0  0  0
  6 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 26  1  0  0  0  0
  5 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
M  END
>  <Mol_ID> (170)
170

>  <Formula> (170)
C20H28ClN7O3S

>  <MolWeight> (170)
481.99942

>  <Cat> (170)
S7634

>  <Name> (170)
Cerdulatinib (PRT062070, PRT2070)

>  <Synonyms> (170)
N/A

>  <Target> (170)
JAK

>  <Form> (170)
Hydrochloride

>  <CAS> (170)
1369761-01-2

>  <URL> (170)
http://www.selleckchem.com/products/cerdulatinib-prt062070-prt2070.html

$$$$
MI-2 (Menin-MLL inhibitor).cdx
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.7665    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    4.9467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914    5.6467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914    7.0467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    7.7467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    9.1467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914    9.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1914   11.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790   11.9467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665   11.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7665    9.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5229    9.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3458   10.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5229   11.6793    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458   10.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4458   11.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8458   11.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9790    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8463    2.7238    0.0000 S   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
    2.6790    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1116    2.7238    0.0000 N   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  9  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
 21 24  1  0  0  0  0
 25 21  1  0  0  0  0
M  END
>  <Mol_ID> (171)
171

>  <Formula> (171)
C18H25N5S2

>  <MolWeight> (171)
375.5546

>  <Cat> (171)
S7618

>  <Name> (171)
MI-2 (Menin-MLL inhibitor)

>  <Synonyms> (171)
N/A

>  <Target> (171)
Histone Methyltransferase

>  <Form> (171)
Free Base

>  <CAS> (171)
1271738-62-5

>  <URL> (171)
http://www.selleckchem.com/products/mi-2-menin-mll-inhibitor.html

$$$$
SP2509.cdx
csChFnd80/12261913382D

 29 31  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
    3.6373    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
    4.8497    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 Cl  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   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
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 18 20  1  0  0  0  0
 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
 20 27  2  0  0  0  0
 20 28  2  0  0  0  0
 13 29  2  0  0  0  0
M  END
>  <Mol_ID> (172)
172

>  <Formula> (172)
C19H20ClN3O5S

>  <MolWeight> (172)
437.8972

>  <Cat> (172)
S7680

>  <Name> (172)
SP2509

>  <Synonyms> (172)
N/A

>  <Target> (172)
Histone Demethylase

>  <Form> (172)
Free Base

>  <CAS> (172)
1423715-09-6

>  <URL> (172)
http://www.selleckchem.com/products/sp2509.html

$$$$
GSK1324726A (I-BET726).cdx
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  1  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
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 O   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
    3.6373    0.0000    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
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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 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
 17 19  2  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  2 23  1  1  0  0  0
  6 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (173)
173

>  <Formula> (173)
C25H23ClN2O3

>  <MolWeight> (173)
434.91472

>  <Cat> (173)
S7620

>  <Name> (173)
GSK1324726A (I-BET726)

>  <Synonyms> (173)
N/A

>  <Target> (173)
Epigenetic Reader Domain

>  <Form> (173)
Free Base

>  <CAS> (173)
1300031-52-0

>  <URL> (173)
http://www.selleckchem.com/products/gsk1324726a-i-bet726.html

$$$$
EI1.cdx
csChFnd80/12261913382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    2.4165    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    3.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    6.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    3.6610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9957    4.7936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728    5.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6039    2.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6174    1.3476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9515    1.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9785    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3126    0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    7.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.2863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    8.2863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    7.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    8.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    8.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6784    9.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660   10.3863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2536    9.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   10.3839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8867   10.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    6.1912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  3  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 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  1  0  0  0  0
 26 21  1  0  0  0  0
 26 27  2  0  0  0  0
 24 28  1  0  0  0  0
 22 29  1  0  0  0  0
M  END
>  <Mol_ID> (174)
174

>  <Formula> (174)
C23H26N4O2

>  <MolWeight> (174)
390.47814

>  <Cat> (174)
S7611

>  <Name> (174)
EI1

>  <Synonyms> (174)
N/A

>  <Target> (174)
Histone Methyltransferase

>  <Form> (174)
Free Base

>  <CAS> (174)
1418308-27-6

>  <URL> (174)
http://www.selleckchem.com/products/ei1.html

$$$$
BRD4770.cdx
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.9326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    0.3751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7166    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    5.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9977    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9345    6.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3039    6.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7365    7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7997    8.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4303    8.5092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    0.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  2  0  0  0  0
  8 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  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  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 17  1  0  0  0  0
M  END
>  <Mol_ID> (175)
175

>  <Formula> (175)
C25H23N3O3

>  <MolWeight> (175)
413.46842

>  <Cat> (175)
S7591

>  <Name> (175)
BRD4770

>  <Synonyms> (175)
N/A

>  <Target> (175)
Histone Methyltransferase

>  <Form> (175)
Free Base

>  <CAS> (175)
1374601-40-7

>  <URL> (175)
http://www.selleckchem.com/products/brd4770.html

$$$$
PX-478 2HCl.cdx
csChFnd80/12261913382D

 22 20  0  0  0  0  0  0  0  0999 V2000
   25.5043    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5043    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7168    2.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9292    3.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9292    4.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7168    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2919    2.8328    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   29.1417    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3541    4.9328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.5665    5.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7790    4.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5665    7.0328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3541    3.5328    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1444    3.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4890    2.1068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2651    5.0295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1176    5.8315    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   25.4811    0.7068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6896    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   23.5275    1.6599    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7222   25.9837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   25.9837    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  1  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
>  <Mol_ID> (176)
176

>  <Formula> (176)
C13H20Cl4N2O3

>  <MolWeight> (176)
394.1215

>  <Cat> (176)
S7612

>  <Name> (176)
PX-478 2HCl

>  <Synonyms> (176)
N/A

>  <Target> (176)
HIF

>  <Form> (176)
Dihydrochlorid

>  <CAS> (176)
685898-44-6

>  <URL> (176)
http://www.selleckchem.com/products/px-478-2hcl.html

$$$$
Reversine.cdx
csChFnd80/12261913382D

 29 33  0  0  0  0  0  0  0  0999 V2000
    8.4870    2.1000    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    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    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
   12.2434    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   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    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 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
 11 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 11  1  0  0  0  0
M  END
>  <Mol_ID> (177)
177

>  <Formula> (177)
C21H27N7O

>  <MolWeight> (177)
393.48538

>  <Cat> (177)
S7588

>  <Name> (177)
Reversine

>  <Synonyms> (177)
N/A

>  <Target> (177)
Adenosine Receptor

>  <Form> (177)
Free Base

>  <CAS> (177)
656820-32-5

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

$$$$
CAY10603.cdx
csChFnd80/12261913382D

 32 33  0  0  0  0  0  0  0  0999 V2000
    5.5570    1.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2549    0.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3668    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6689    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2640    2.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570    1.2272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4559    2.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1671    3.6735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0785    2.4416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3622    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1808    5.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7235    4.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7667    1.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5882    0.0691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9260    0.4982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9312    1.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5968    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0669    2.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3438    2.1475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4795    2.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7563    2.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8920    3.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1688    2.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3045    3.4551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9258    4.1146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5813    2.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7170    3.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5759    5.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9938    3.1253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1295    3.9439    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
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 15  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 20 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
>  <Mol_ID> (178)
178

>  <Formula> (178)
C22H30N4O6

>  <MolWeight> (178)
446.4968

>  <Cat> (178)
S7596

>  <Name> (178)
CAY10603

>  <Synonyms> (178)
N/A

>  <Target> (178)
HDAC

>  <Form> (178)
Free Base

>  <CAS> (178)
1045792-66-2

>  <URL> (178)
http://www.selleckchem.com/products/cay10603.html

$$$$
LMK-235.cdx
csChFnd80/12261913382D

 21 21  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   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
   15.7617    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    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
  3  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (179)
179

>  <Formula> (179)
C15H22N2O4

>  <MolWeight> (179)
294.34618

>  <Cat> (179)
S7569

>  <Name> (179)
LMK-235

>  <Synonyms> (179)
N/A

>  <Target> (179)
HDAC

>  <Form> (179)
Free Base

>  <CAS> (179)
1418033-25-6

>  <URL> (179)
http://www.selleckchem.com/products/lmk-235.html

$$$$
MS436.cdx
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.5932    3.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2910    2.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6910    2.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3932    3.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6953    4.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2953    4.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7883    3.6159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4880    4.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8831    4.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5810    3.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9810    3.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6831    4.8155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9853    6.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5853    6.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0783    4.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6764    2.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8898    7.2411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1980    3.6257    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8029    3.6282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2005    5.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1956    2.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032    2.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7032    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1032    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064    1.2143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
 12 15  1  0  0  0  0
 11 16  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (180)
180

>  <Formula> (180)
C18H17N5O3S

>  <MolWeight> (180)
383.42428

>  <Cat> (180)
S7305

>  <Name> (180)
MS436

>  <Synonyms> (180)
N/A

>  <Target> (180)
Epigenetic Reader Domain

>  <Form> (180)
Free Base

>  <CAS> (180)
1395084-25-9

>  <URL> (180)
http://www.selleckchem.com/products/ms436.html

$$$$
HPOB.cdx
csChFnd80/12261913382D

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 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
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
  9 19  2  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
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (181)
181

>  <Formula> (181)
C17H18N2O4

>  <MolWeight> (181)
314.33582

>  <Cat> (181)
S7278

>  <Name> (181)
HPOB

>  <Synonyms> (181)
N/A

>  <Target> (181)
HDAC

>  <Form> (181)
Free Base

>  <CAS> (181)
1429651-50-2

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

$$$$
ML234.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.1757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    6.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.9757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117    0.6976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3200    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  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 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <Mol_ID> (182)
182

>  <Formula> (182)
C21H23N3O2

>  <MolWeight> (182)
349.42622

>  <Cat> (182)
S7296

>  <Name> (182)
ML324

>  <Synonyms> (182)
N/A

>  <Target> (182)
Histone Demethylase

>  <Form> (182)
Free Base

>  <CAS> (182)
1222800-79-4

>  <URL> (182)
http://www.selleckchem.com/products/ml324.html

$$$$
4SC-202.cdx
csChFnd80/12261913382D

 32 35  0  0  0  0  0  0  0  0999 V2000
    4.7437    3.8538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7818    2.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0129    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2058    2.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677    3.9198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9366    4.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5931    1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2991    2.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3910    1.1929    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1237    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4847    0.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3565    4.6500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5452    5.3802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8392    4.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7473    5.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0146    7.1043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6536    6.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1383    5.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9273    6.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3183    6.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9202    5.5874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1073    7.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4982    7.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1023    6.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4981    6.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2898    7.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6858    8.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2900    9.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6880   10.3018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6262    5.8388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0867    3.4612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 13  1  0  0  0  0
 15 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
 20 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
 28 29  1  0  0  0  0
 12 30  2  0  0  0  0
 12 31  2  0  0  0  0
  9 32  1  0  0  0  0
M  END
>  <Mol_ID> (183)
183

>  <Formula> (183)
C23H21N5O3S

>  <MolWeight> (183)
447.50954

>  <Cat> (183)
S7555

>  <Name> (183)
4SC-202

>  <Synonyms> (183)
N/A

>  <Target> (183)
HDAC

>  <Form> (183)
Free Base

>  <CAS> (183)
910462-43-0

>  <URL> (183)
http://www.selleckchem.com/products/4sc-202.html

$$$$
OF-1.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    3.5495    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5495    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7620    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    3.9253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2180    1.6601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    3.4927    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    0.6951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0239    2.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8115    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2322    0.6976    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.3908    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6933    2.2845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0884    4.7009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    5.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7869    0.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1826    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 13 19  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  2  0  0  0  0
  7 22  1  0  0  0  0
  9 23  1  0  0  0  0
  8 24  2  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (184)
184

>  <Formula> (184)
C17H18BrN3O4S

>  <MolWeight> (184)
440.31152

>  <Cat> (184)
S7681

>  <Name> (184)
OF-1

>  <Synonyms> (184)
N/A

>  <Target> (184)
Epigenetic Reader Domain

>  <Form> (184)
Free Base

>  <CAS> (184)
919973-83-4

>  <URL> (184)
http://www.selleckchem.com/products/of-1.html

$$$$
UNC0379.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4831    4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8525    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158    6.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
  2 13  1  0  0  0  0
 13 14  1  0  0  0  0
  8 15  1  0  0  0  0
 10 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
 15 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 15  1  0  0  0  0
 22 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 22  1  0  0  0  0
M  END
>  <Mol_ID> (185)
185

>  <Formula> (185)
C23H35N5O2

>  <MolWeight> (185)
413.5563

>  <Cat> (185)
S7570

>  <Name> (185)
UNC0379

>  <Synonyms> (185)
N/A

>  <Target> (185)
Histone Methyltransferase

>  <Form> (185)
Free Base

>  <CAS> (185)
1620401-82-2

>  <URL> (185)
http://www.selleckchem.com/products/unc0379.html

$$$$
GSK-LSD1  dihydrochloride.cdx
csChFnd80/12261913382D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2497    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9497    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6497    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.9475    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  8  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
M  END
>  <Mol_ID> (186)
186

>  <Formula> (186)
C14H22Cl2N2

>  <MolWeight> (186)
289.24388

>  <Cat> (186)
S7574

>  <Name> (186)
GSK-LSD1 2HCl

>  <Synonyms> (186)
N/A

>  <Target> (186)
Histone Demethylase

>  <Form> (186)
Dihydrochloride

>  <CAS> (186)
1431368-48-7

>  <URL> (186)
http://www.selleckchem.com/products/gsk-lsd1-2hcl.html

$$$$
GSK126.cdx
csChFnd80/12261913382D

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
   11.0310    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4636    3.1359    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5268    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7698    3.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  5  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  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 30  1  0  0  0  0
 30 25  2  0  0  0  0
 26 31  2  0  0  0  0
 30 32  1  0  0  0  0
 28 33  1  0  0  0  0
 10 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 39  1  0  0  0  0
 39 34  1  0  0  0  0
M  END
>  <Mol_ID> (187)
187

>  <Formula> (187)
C31H38N6O2

>  <MolWeight> (187)
526.67242

>  <Cat> (187)
S7061

>  <Name> (187)
GSK126

>  <Synonyms> (187)
N/A

>  <Target> (187)
Histone Methyltransferase

>  <Form> (187)
Free Base

>  <CAS> (187)
1346574-57-9

>  <URL> (187)
http://www.selleckchem.com/products/gsk126.html

$$$$
EPZ015666.cdx
csChFnd80/12261913382D

 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
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  9 14  2  0  0  0  0
 12 15  1  1  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  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> (188)
188

>  <Formula> (188)
C20H25N5O3

>  <MolWeight> (188)
383.4442

>  <Cat> (188)
S7748

>  <Name> (188)
EPZ015666

>  <Synonyms> (188)
N/A

>  <Target> (188)
Histone Methyltransferase

>  <Form> (188)
Free Base

>  <CAS> (188)
1616391-65-1

>  <URL> (188)
http://www.selleckchem.com/products/epz015666.html

$$$$
SRT2104 (GSK2245840).cdx
csChFnd80/12261913382D

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.4891   11.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9457   10.1618    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455   10.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7539   11.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6066   12.3285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0774   11.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1887    9.0695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   11.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8342   13.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951   13.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4718   12.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876   11.3468    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1267   10.9383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6425    7.7805    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5782    9.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828    6.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9366    5.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7798    4.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1693    4.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7155    5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8723    6.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5965    6.2302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3280    5.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4995    4.2482    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8740    3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9536    5.9040    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2756    4.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2311    3.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657    2.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469    1.8311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    2.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2663    2.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0572    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806    0.4566    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  1  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 17 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  1  0  0  0  0
 26 22  2  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 25  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 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> (189)
189

>  <Formula> (189)
C26H24N6O2S2

>  <MolWeight> (189)
516.63776

>  <Cat> (189)
S7792

>  <Name> (189)
SRT2104 (GSK2245840)

>  <Synonyms> (189)
N/A

>  <Target> (189)
Sirtuin

>  <Form> (189)
Free Base

>  <CAS> (189)
1093403-33-8

>  <URL> (189)
http://www.selleckchem.com/products/srt2104-gsk2245840.html

$$$$
BRD73954.cdx
csChFnd80/12261913382D

 21 22  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
>  <Mol_ID> (190)
190

>  <Formula> (190)
C16H16N2O3

>  <MolWeight> (190)
284.30984

>  <Cat> (190)
S7726

>  <Name> (190)
BRD73954

>  <Synonyms> (190)
N/A

>  <Target> (190)
HDAC

>  <Form> (190)
Free Base

>  <CAS> (190)
1440209-96-0

>  <URL> (190)
http://www.selleckchem.com/products/brd73954.html

$$$$
BRD7552.cdx
csChFnd80/12261913382D

 51 56  0  0  0  0  0  0  0  0999 V2000
   10.8825    9.9012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.8825    8.5012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0949    7.8012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3073    8.5012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3073    9.9012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0949   10.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742   10.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156   10.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    7.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156    7.8036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    6.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    7.8036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5156   11.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7238    9.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    5.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7196    4.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9320    3.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    4.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1444    5.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2231    2.2391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1849    3.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    5.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3031    4.3133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5114    6.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0949    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6296    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1991    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5914    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6742    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8825    5.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    5.7109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    7.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    8.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    7.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8329    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453    5.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    8.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247    9.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    7.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    8.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    9.9012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  1  0  0  0
  5  8  1  6  0  0  0
  2  9  1  6  0  0  0
  4 10  1  6  0  0  0
  3 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 11 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 32  1  0  0  0  0
  9 37  1  0  0  0  0
 37 38  2  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
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 40  1  0  0  0  0
 43 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
  7 51  1  0  0  0  0
M  END
>  <Mol_ID> (191)
191

>  <Formula> (191)
C33H33N3O15

>  <MolWeight> (191)
711.62622

>  <Cat> (191)
S7363

>  <Name> (191)
BRD7552

>  <Synonyms> (191)
N/A

>  <Target> (191)
Others

>  <Form> (191)
Free Base

>  <CAS> (191)
1137359-47-7

>  <URL> (191)
http://www.selleckchem.com/products/brd7552.html

$$$$
NU1025.cdx
csChFnd80/12261913382D

 13 14  0  0  0  0  0  0  0  0999 V2000
    2.4309    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0061    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    1.4105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8558    3.5052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0674    1.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  2  0  0  0  0
  8 12  1  0  0  0  0
  6 13  1  0  0  0  0
M  END
>  <Mol_ID> (192)
192

>  <Formula> (192)
C9H8N2O2

>  <MolWeight> (192)
176.17202

>  <Cat> (192)
S7730

>  <Name> (192)
NU1025

>  <Synonyms> (192)
NSC 696807

>  <Target> (192)
PARP

>  <Form> (192)
Free Base

>  <CAS> (192)
90417-38-2

>  <URL> (192)
http://www.selleckchem.com/products/nu1025.html

$$$$
GSK J1.cdx
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.3142    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5267    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7391    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9473    6.9976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1556    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3638    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5720    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7802    6.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5720    4.9049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1060    6.9976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2106    8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844    9.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    9.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115    6.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9493    6.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   10.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 23  1  0  0  0  0
M  END
>  <Mol_ID> (193)
193

>  <Formula> (193)
C22H23N5O2

>  <MolWeight> (193)
389.45032

>  <Cat> (193)
S7581

>  <Name> (193)
GSK J1

>  <Synonyms> (193)
N/A

>  <Target> (193)
Histone Demethylase

>  <Form> (193)
Free Base

>  <CAS> (193)
1373422-53-7

>  <URL> (193)
http://www.selleckchem.com/products/gsk-j1.html

$$$$
BG45.cdx
csChFnd80/12261913382D

 16 17  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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 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
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  7 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <Mol_ID> (194)
194

>  <Formula> (194)
C11H10N4O

>  <MolWeight> (194)
214.2233

>  <Cat> (194)
S7689

>  <Name> (194)
BG45

>  <Synonyms> (194)
N/A

>  <Target> (194)
HDAC

>  <Form> (194)
Free Base

>  <CAS> (194)
926259-99-6

>  <URL> (194)
http://www.selleckchem.com/products/bg45.html

$$$$
HTH-01-015.cdx
csChFnd80/12261913382D

 35 40  0  0  0  0  0  0  0  0999 V2000
    4.9506    9.1986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630    7.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3754    7.7986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3754    9.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630    9.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    6.9257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    7.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4423    8.4986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    9.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700   10.0715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6235    6.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0196    6.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6271    7.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8384    8.6032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8083    5.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2044    5.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8118    6.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0232    7.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1585   11.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078   10.8545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1585    5.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    7.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630   11.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6055    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4381    3.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8708    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.1463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.1326    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 11  1  0  0  0  0
 11  5  1  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 15  2  0  0  0  0
 15  9  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 11 20  1  0  0  0  0
 10 21  2  0  0  0  0
  7 22  1  0  0  0  0
  2 23  1  0  0  0  0
  6 24  1  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  1  0  0  0  0
 28 29  2  0  0  0  0
 29 25  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
M  END
>  <Mol_ID> (195)
195

>  <Formula> (195)
C26H28N8O

>  <MolWeight> (195)
468.55352

>  <Cat> (195)
S7318

>  <Name> (195)
HTH-01-015

>  <Synonyms> (195)
N/A

>  <Target> (195)
AMPK

>  <Form> (195)
Free Base

>  <CAS> (195)
1613724-42-7

>  <URL> (195)
http://www.selleckchem.com/products/hth-01-015.html

$$$$
Dorsomorphin.cdx
csChFnd80/12261913382D

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4912    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    4.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0994    5.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4688    6.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9014    7.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9646    8.6224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5952    8.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 10  1  0  0  0  0
  5 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 19  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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
>  <Mol_ID> (196)
196

>  <Formula> (196)
C24H25N5O

>  <MolWeight> (196)
399.4882

>  <Cat> (196)
S7840

>  <Name> (196)
Dorsomorphin (Compound C)

>  <Synonyms> (196)
Compound C, BML-275

>  <Target> (196)
AMPK

>  <Form> (196)
Free Base

>  <CAS> (196)
866405-64-3

>  <URL> (196)
http://www.selleckchem.com/products/dorsomorphin.html

$$$$
CPI-169.cdx
csChFnd80/12261913382D

 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
    7.2717    4.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0000    7.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7132    6.7398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6173    5.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4947    2.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2925    1.2181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  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
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
  8 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 33 34  2  0  0  0  0
 29 35  1  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
>  <Mol_ID> (197)
197

>  <Formula> (197)
C27H36N4O5S

>  <MolWeight> (197)
528.66354

>  <Cat> (197)
S7616

>  <Name> (197)
CPI-169

>  <Synonyms> (197)
N/A

>  <Target> (197)
Histone Methyltransferase

>  <Form> (197)
Free Base

>  <CAS> (197)
1450655-76-1

>  <URL> (197)
http://www.selleckchem.com/products/cpi-169.html

$$$$
BI-847325.cdx
csChFnd80/12261913382D

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.2436    4.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2436    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4561    2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6685    3.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6685    4.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4561    5.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    3.0504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8229    4.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    5.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4311    6.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4976    7.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7958    6.9325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302    9.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9934   10.0511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6240    9.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1914    8.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1282    7.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2269    8.2594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0354    2.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8299    2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6243    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.0934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2180    4.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5963    8.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0289    9.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0921   10.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7227   10.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2901    9.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5233   12.2492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8879   12.5393    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8214   11.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3190   13.8661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  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  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
 12 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  3  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 25  2  0  0  0  0
  8 26  2  0  0  0  0
 18 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 18  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (198)
198

>  <Formula> (198)
C29H28N4O2

>  <MolWeight> (198)
464.55822

>  <Cat> (198)
S7843

>  <Name> (198)
BI-847325

>  <Synonyms> (198)
N/A

>  <Target> (198)
MEK

>  <Form> (198)
Free Base

>  <CAS> (198)
1207293-36-4

>  <URL> (198)
http://www.selleckchem.com/products/bi-847325.html

$$$$
AMI-1.cdx
csChFnd80/12261913382D

 36 39  0  0  0  0  0  0  0  0999 V2000
    3.6331    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    5.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.3951    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    1.3951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9531    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7406    7.6879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1613    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5324    8.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0905    9.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4399    9.4083    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   17.1245    7.5111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2166    2.0927    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
    1.2124    0.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  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  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 27 32  2  0  0  0  0
 12 33  2  0  0  0  0
 12 34  2  0  0  0  0
 12 35  1  0  0  0  0
 30 31  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (199)
199

>  <Formula> (199)
C21H14N2Na2O9S2

>  <MolWeight> (199)
548.4534

>  <Cat> (199)
S7884

>  <Name> (199)
AMI-1

>  <Synonyms> (199)
N/A

>  <Target> (199)
Histone Methyltransferase

>  <Form> (199)
disodium salt

>  <CAS> (199)
20324-87-2

>  <URL> (199)
http://www.selleckchem.com/products/ami-1.html

$$$$
G007-LK.cdx
csChFnd80/12261913382D

 37 41  0  0  0  0  0  0  0  0999 V2000
   12.6080    2.2771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0358    0.9441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4358    0.9391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8732    2.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7435    3.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7485    4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2016    2.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2826    2.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2425    1.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4917    3.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0917    3.5527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6520    2.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7802    1.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3231    1.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2872    2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537    2.3098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560    0.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6919    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0254    0.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3271    0.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9592    5.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9592    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7485    7.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5378    6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5378    5.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3287    4.4981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.2386    1.7550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.5717    2.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8676    3.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8305    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4975    4.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1960    3.9776    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.2294    3.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4909    5.3412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9011    2.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 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
 21 22  3  0  0  0  0
  6 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  6  1  0  0  0  0
 27 28  1  0  0  0  0
  7 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33  7  1  0  0  0  0
 31 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 34 37  2  0  0  0  0
M  END
>  <Mol_ID> (200)
200

>  <Formula> (200)
C25H16ClN7O3S

>  <MolWeight> (200)
529.95764

>  <Cat> (200)
S7239

>  <Name> (200)
G007-LK

>  <Synonyms> (200)
N/A

>  <Target> (200)
PARP

>  <Form> (200)
Free Base

>  <CAS> (200)
1380672-07-0

>  <URL> (200)
http://www.selleckchem.com/products/g007-lk.html

$$$$
GSK503.cdx
csChFnd80/12261913382D

 39 43  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    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
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6745    8.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6745    3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7410    2.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0392    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4913    9.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    9.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   11.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   10.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   11.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408   12.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284   13.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159   12.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    9.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077   13.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7490   13.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  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
  5 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  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 18 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 23 28  2  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 31  2  0  0  0  0
 32 37  2  0  0  0  0
 36 38  1  0  0  0  0
 34 39  1  0  0  0  0
M  END
>  <Mol_ID> (201)
201

>  <Formula> (201)
C31H38N6O2

>  <MolWeight> (201)
526.67242

>  <Cat> (201)
S7804

>  <Name> (201)
GSK503

>  <Synonyms> (201)
N/A

>  <Target> (201)
Histone Methyltransferase

>  <Form> (201)
Free Base

>  <CAS> (201)
1346572-63-1

>  <URL> (201)
http://www.selleckchem.com/products/gsk503.html

$$$$
FLLL32.cdx
csChFnd80/12261913382D

 34 36  0  0  0  0  0  0  0  0999 V2000
    8.4786    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1159    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3284    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5408    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3905    1.4000    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
    6.0538    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4786    4.9000    0.0000 O   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
    3.6289    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    3.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    0.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  8 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 22  1  0  0  0  0
 22 23  2  0  0  0  0
  7 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 27 31  1  0  0  0  0
 31 32  1  0  0  0  0
 28 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
>  <Mol_ID> (202)
202

>  <Formula> (202)
C28H32O6

>  <MolWeight> (202)
464.55008

>  <Cat> (202)
S7259

>  <Name> (202)
FLLL32

>  <Synonyms> (202)
N/A

>  <Target> (202)
JAK

>  <Form> (202)
Free Base

>  <CAS> (202)
1226895-15-3

>  <URL> (202)
http://www.selleckchem.com/products/flll32.html

$$$$
CPI-360.cdx
csChFnd80/12261913382D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1986    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5680    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5048    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5930    4.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.1544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7493    6.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    5.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7875    4.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1798    4.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7492    5.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9263    6.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5340    6.5797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 14  2  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 17  1  0  0  0  0
 19 24  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (203)
203

>  <Formula> (203)
C25H31N3O4

>  <MolWeight> (203)
437.53134

>  <Cat> (203)
S7656

>  <Name> (203)
CPI-360

>  <Synonyms> (203)
N/A

>  <Target> (203)
Histone Methyltransferase

>  <Form> (203)
Free Base

>  <CAS> (203)
1802175-06-9

>  <URL> (203)
http://www.selleckchem.com/products/cpi-360.html

$$$$
GSK2801.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    4.8413    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.8045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    4.6371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0303    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0935    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3997    0.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    4.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0288    5.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3982    6.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8308    7.5865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8940    8.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5246    8.3359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0920    7.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3317    5.2183    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6964    5.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3418    4.2283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6941    3.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
  1 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
  9 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
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (204)
204

>  <Formula> (204)
C20H21NO4S

>  <MolWeight> (204)
371.45004

>  <Cat> (204)
S7231

>  <Name> (204)
GSK2801

>  <Synonyms> (204)
N/A

>  <Target> (204)
Epigenetic Reader Domain

>  <Form> (204)
Free Base

>  <CAS> (204)
1619994-68-1

>  <URL> (204)
http://www.selleckchem.com/products/gsk2801.html

$$$$
SirReal2.cdx
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   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
    6.1287    4.3306    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.5834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    5.2246    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2807    6.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6731    6.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4960    7.3435    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.7113    7.6362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8883    7.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4577    5.9182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    5.7719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6729    6.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1035    8.1835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7112    8.3298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9264    9.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4195    4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 12  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 18 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  0  0  0  0
M  END
>  <Mol_ID> (205)
205

>  <Formula> (205)
C22H20N4OS2

>  <MolWeight> (205)
420.5504

>  <Cat> (205)
S7845

>  <Name> (205)
SirReal2

>  <Synonyms> (205)
N/A

>  <Target> (205)
Sirtuin

>  <Form> (205)
Free Base

>  <CAS> (205)
709002-46-0

>  <URL> (205)
http://www.selleck.cn/products/sirreal2.html

$$$$
KC7F2.cdx
csChFnd80/12261913382D

 30 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    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
    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
    2.4249    5.6000    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
    1.2124    7.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  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
  9 19  2  0  0  0  0
  9 20  2  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 21  1  0  0  0  0
 18 27  2  0  0  0  0
 18 28  2  0  0  0  0
 26 29  1  0  0  0  0
 23 30  1  0  0  0  0
M  END
>  <Mol_ID> (206)
206

>  <Formula> (206)
C16H16Cl4N2O4S4

>  <MolWeight> (206)
570.38124

>  <Cat> (206)
S7946

>  <Name> (206)
KC7F2

>  <Synonyms> (206)
N/A

>  <Target> (206)
HIF

>  <Form> (206)
Free Base

>  <CAS> (206)
927822-86-4

>  <URL> (206)
http://www.selleckchem.com/products/kc7f2.html

$$$$
PFI-4.cdx
csChFnd80/12261913382D

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8413    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    2.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    3.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    4.4810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    1.9484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4206    3.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5977    4.2136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0288    5.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0288    0.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    4.4785    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    5.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    6.5713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    8.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331   10.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3541    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1174    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4868    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8157    3.0810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  2 12  1  0  0  0  0
  1 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  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 15  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 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 12  1  0  0  0  0
  8 28  2  0  0  0  0
M  END
>  <Mol_ID> (207)
207

>  <Formula> (207)
C21H24N4O3

>  <MolWeight> (207)
380.44026

>  <Cat> (207)
S7906

>  <Name> (207)
PFI-4

>  <Synonyms> (207)
N/A

>  <Target> (207)
Epigenetic Reader Domain

>  <Form> (207)
Free Base

>  <CAS> (207)
900305-37-5

>  <URL> (207)
http://www.selleckchem.com/products/pfi-4.html

$$$$
ASP015K.cdx
csChFnd80/12261913382D

 24 28  0  0  0  0  0  0  0  0999 V2000
    3.8859    6.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8859    5.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    4.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3108    5.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3108    6.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    7.4795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544    7.2121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7315    6.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544    4.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5232    4.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7356    5.3795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5232    3.2795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0983    3.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8586    0.3847    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2128    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    1.2124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5668    0.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9130    2.6124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  3 13  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 14  1  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  1  0  0  0  0
 21 13  1  1  0  0  0
 14 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
>  <Mol_ID> (208)
208

>  <Formula> (208)
C18H22N4O2

>  <MolWeight> (208)
326.39288

>  <Cat> (208)
S7650

>  <Name> (208)
Peficitinib (ASP015K, JNJ-54781532)

>  <Synonyms> (208)
N/A

>  <Target> (208)
JAK

>  <Form> (208)
Free Base

>  <CAS> (208)
944118-01-8

>  <URL> (208)
http://www.selleckchem.com/products/peficitinb-asp015k-jnj-54781532.html

$$$$
GSK621.cdx
csChFnd80/12261913382D

 35 39  0  0  0  0  0  0  0  0999 V2000
    1.2517    7.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517    6.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    5.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    6.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    7.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    8.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    9.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.9441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   10.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765   11.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641   12.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   11.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2517   10.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890    9.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8890   12.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014   11.6441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1641    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1009    0.7493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4703    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9029    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9661    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3988    4.7438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4071    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2091    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5785    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0111    3.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0744    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7049    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5070    5.6170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8764    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5538    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 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  8  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 20  1  0  0  0  0
 24 25  2  0  0  0  0
 22 26  2  0  0  0  0
 23 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
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 17 35  1  0  0  0  0
M  END
>  <Mol_ID> (209)
209

>  <Formula> (209)
C26H20ClN3O5

>  <MolWeight> (209)
489.9071

>  <Cat> (209)
S7898

>  <Name> (209)
GSK621

>  <Synonyms> (209)
N/A

>  <Target> (209)
AMPK

>  <Form> (209)
Free Base

>  <CAS> (209)
1346607-05-3

>  <URL> (209)
http://www.selleckchem.com/products/gsk621.html

$$$$
ORY-1001.cdx
csChFnd80/12261913382D

 19 19  0  0  0  0  0  0  0  0999 V2000
   14.3326    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3326    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5450    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7575    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7575    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5450    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1202    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9699    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1823    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.8823    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5823    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.7948    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0072    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2196    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2196    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0072    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7948    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   19.6166    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   19.6166    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  9  1  0  0  0  0
 11 12  1  6  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
M  END
>  <Mol_ID> (210)
210

>  <Formula> (210)
C15H24Cl2N2

>  <MolWeight> (210)
303.27046

>  <Cat> (210)
S7795

>  <Name> (210)
ORY-1001 (RG-6016) 2HCl

>  <Synonyms> (210)
N/A

>  <Target> (210)
Histone Demethylase

>  <Form> (210)
Dihydrochloride

>  <CAS> (210)
1431326-61-2

>  <URL> (210)
http://www.selleckchem.com/products/ory-1001-rg-6016.html

$$$$
LM-3334 VX-509.cdx
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9388    0.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076    1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376    2.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7977    3.5696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4300    3.2752    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0133    3.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8665    4.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4977    4.7821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2257    2.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2257    0.9946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6524    0.9954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6524    2.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353    3.0973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8634    3.0938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0750    2.3943    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2880    3.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939    1.3384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1943    1.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6961    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4820    2.4053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2880    4.5159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7221    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9023    2.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1490    3.1597    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0433    1.3917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8818    1.4605    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 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
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  1  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
M  END
>  <Mol_ID> (211)
211

>  <Formula> (211)
C18H19F3N6O

>  <MolWeight> (211)
392.3782696

>  <Cat> (211)
S7541

>  <Name> (211)
Decernotinib (VX-509)

>  <Synonyms> (211)
N/A

>  <Target> (211)
JAK

>  <Form> (211)
Free Base

>  <CAS> (211)
944842-54-0

>  <URL> (211)
http://www.selleckchem.com/products/decernotinib-vx-509.html

$$$$
NVP-TNKS656.cdx
csChFnd80/12261913382D

 36 40  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.5927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.1927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    7.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1781    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9657    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7532    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3863    4.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5946    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
M  END
>  <Mol_ID> (212)
212

>  <Formula> (212)
C27H34N4O5

>  <MolWeight> (212)
494.58266

>  <Cat> (212)
S7238

>  <Name> (212)
NVP-TNKS656

>  <Synonyms> (212)
N/A

>  <Target> (212)
PARP

>  <Form> (212)
Free Base

>  <CAS> (212)
1419949-20-4

>  <URL> (212)
http://www.selleckchem.com/products/nvp-tnks656.html

$$$$
FG-2216.cdx
csChFnd80/12261913382D

 19 20  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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    3.5000    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
    4.8497    2.1000    0.0000 N   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    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
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
  7 12  1  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
 14 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
M  END
>  <Mol_ID> (213)
213

>  <Formula> (213)
C12H9ClN2O4

>  <MolWeight> (213)
280.66386

>  <Cat> (213)
S7979

>  <Name> (213)
FG-2216

>  <Synonyms> (213)
N/A

>  <Target> (213)
HIF

>  <Form> (213)
Free Base

>  <CAS> (213)
223387-75-5

>  <URL> (213)
http://www.selleckchem.com/products/fg-2216.html

$$$$
SGC707.cdx
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    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    3.5000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   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
   10.9119    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    1.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
M  END
>  <Mol_ID> (214)
214

>  <Formula> (214)
C16H18N4O2

>  <MolWeight> (214)
298.33972

>  <Cat> (214)
S7832

>  <Name> (214)
SGC707

>  <Synonyms> (214)
N/A

>  <Target> (214)
Histone Methyltransferase

>  <Form> (214)
Free Base

>  <CAS> (214)
1687736-54-4

>  <URL> (214)
http://www.selleckchem.com/products/sgc707.html

$$$$
Molidustat(BAY 85-3934).cdx
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
    0.8918    2.6093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891    1.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225    0.8146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5587    1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2614    3.1242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9280    3.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307    4.9188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8921    1.3295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7307    0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1573    1.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0210    2.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0146    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4868    1.7784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6232    0.9607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    1.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3134    3.1182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9134    3.1118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6669    5.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3696    7.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361    7.6550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2973    5.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  8  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
  7 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  7  1  0  0  0  0
M  END
>  <Mol_ID> (215)
215

>  <Formula> (215)
C13H14N8O2

>  <MolWeight> (215)
314.30266

>  <Cat> (215)
S8138

>  <Name> (215)
Molidustat(BAY 85-3934)

>  <Synonyms> (215)
N/A

>  <Target> (215)
HIF

>  <Form> (215)
Free Base

>  <CAS> (215)
1154028-82-6

>  <URL> (215)
http://www.selleckchem.com/products/molidustat-(bay85-3934).html

$$$$
GSK2879552.cdx
csChFnd80/12261913382D

 29 30  0  0  0  0  0  0  0  0999 V2000
    4.4018    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4018    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6142    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8266    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8266    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6142    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0391    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4391    2.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.7391    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6515    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8597    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0680    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0680    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2804    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4928    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4928    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2804    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7010    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9093    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1217    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3341    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3341    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1217    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9093    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5424    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7506    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5424    4.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   22.0755    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   22.0755    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
  7  5  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
 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 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
M  END
>  <Mol_ID> (216)
216

>  <Formula> (216)
C23H30Cl2N2O2

>  <MolWeight> (216)
437.4025

>  <Cat> (216)
S7796

>  <Name> (216)
GSK2879552 2HCl

>  <Synonyms> (216)
N/A

>  <Target> (216)
Histone Demethylase

>  <Form> (216)
Dihydrochloride

>  <CAS> (216)
1401966-69-5

>  <URL> (216)
http://www.selleckchem.com/products/gsk2879552-2hcl.html

$$$$
Daprodustat (GSK1278863).cdx
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 N   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
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    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
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  2 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
>  <Mol_ID> (217)
217

>  <Formula> (217)
C19H27N3O6

>  <MolWeight> (217)
393.43418

>  <Cat> (217)
S8171

>  <Name> (217)
Daprodustat (GSK1278863)

>  <Synonyms> (217)
N/A

>  <Target> (217)
HIF

>  <Form> (217)
Free Base

>  <CAS> (217)
960539-70-2

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

$$$$
MS023.cdx
csChFnd80/12261913382D

 21 22  0  0  0  0  0  0  0  0999 V2000
    4.8960    2.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3239    0.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3675    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5828    0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2883    2.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2232    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5915    2.8256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805    3.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0249    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9314    3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9204    4.4416    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1967    3.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9006    4.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1984    5.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7970    5.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    4.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7951    3.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0977    7.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6994    7.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    5.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
>  <Mol_ID> (218)
218

>  <Formula> (218)
C17H25N3O

>  <MolWeight> (218)
287.3999

>  <Cat> (218)
S8112

>  <Name> (218)
MS023

>  <Synonyms> (218)
N/A

>  <Target> (218)
Histone Methyltransferase

>  <Form> (218)
Free Base

>  <CAS> (218)
1831110-54-3

>  <URL> (218)
http://www.selleckchem.com/products/ms023.html

$$$$
Chaetocin.cdx
csChFnd80/12261913382D

 48 57  0  0  0  0  0  0  0  0999 V2000
    9.5827    2.8281    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1501    6.3047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3795    1.6770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2373    2.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4368    3.9293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3416    7.4479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4774    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3096    5.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7384    2.0988    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5236    0.5658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2085    1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    3.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7678    3.4678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0045    7.0245    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2037    8.5798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4994    8.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9896    5.6299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9080    1.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9821    0.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    2.4805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9666    4.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0428    3.1488    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    7.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7662    4.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    5.8837    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.1111    2.0555    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7864    1.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1344    3.4204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7685    2.2844    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    7.0622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8227    9.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5672    5.6579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7450    3.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8895    6.7669    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.4917    4.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2787    7.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2195    4.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    0.4128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4567    8.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6863    6.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9172    6.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9172    8.1383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6863    8.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3062    1.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5286    2.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9954    5.5289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8803    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 38  1  6  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 39  1  6  0  0  0
  7 16  2  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  1  0  0  0
 14 23  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 17 24  1  0  0  0  0
 17 25  1  1  0  0  0
 18 26  1  0  0  0  0
 19 27  2  0  0  0  0
 20 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 23 31  2  0  0  0  0
 24 32  1  0  0  0  0
 24 33  2  0  0  0  0
 25 34  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  1  0  0  0
 28 35  1  0  0  0  0
 30 36  1  0  0  0  0
 30 32  1  0  0  0  0
 30 34  1  1  0  0  0
 32 37  1  0  0  0  0
 36 40  1  0  0  0  0
  7 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 16  1  0  0  0  0
 26 45  1  0  0  0  0
 45 46  1  0  0  0  0
 21 47  2  0  0  0  0
 18 48  2  0  0  0  0
M  END
>  <Mol_ID> (219)
219

>  <Formula> (219)
C30H28N6O6S4

>  <MolWeight> (219)
696.83992

>  <Cat> (219)
S8068

>  <Name> (219)
Chaetocin

>  <Synonyms> (219)
N/A

>  <Target> (219)
Histone Methyltransferase

>  <Form> (219)
Free Base

>  <CAS> (219)
28097-03-2

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

$$$$
Oclacitinib maleate.cdx
csChFnd80/12261913382D

 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
    1.2124    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.2124    4.6273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    4.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.7273    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6373    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.7273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9154    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    3.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    5.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3318    2.0927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 10  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 15 18  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
 19 22  2  0  0  0  0
 19 23  2  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
M  END
>  <Mol_ID> (220)
220

>  <Formula> (220)
C19H27N5O6S

>  <MolWeight> (220)
453.51258

>  <Cat> (220)
S8195

>  <Name> (220)
Oclacitinib maleate

>  <Synonyms> (220)
PF-03394197

>  <Target> (220)
JAK

>  <Form> (220)
Free Base

>  <CAS> (220)
1640292-55-2

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

$$$$
PF-CBP1.cdx
csChFnd80/12261913382D

 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
    5.8531    3.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    3.0710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    5.3363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    6.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    6.9588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    8.2903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2212    9.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844   10.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9150   10.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    9.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.1202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    1.7788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3074    2.9912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    0.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    4.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7074    2.9912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8074    4.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5074    5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3425    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 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
  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
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 18  2  0  0  0  0
 21 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 21  1  0  0  0  0
 25 31  1  0  0  0  0
 22 32  1  0  0  0  0
 28 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
M  END
>  <Mol_ID> (221)
221

>  <Formula> (221)
C29H37ClN4O3

>  <MolWeight> (221)
525.08208

>  <Cat> (221)
S8180

>  <Name> (221)
PF-CBP1 HCL

>  <Synonyms> (221)
N/A

>  <Target> (221)
Epigenetic Reader Domain

>  <Form> (221)
Hydrochloride

>  <URL> (221)
http://www.selleckchem.com/products/pf-cbp1.html

$$$$
GSK591 (EPZ015866, GSK3203591).cdx
csChFnd80/12261913382D

 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
    4.1395    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6266    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8390    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2639    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0514    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6887    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4763    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    2.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 20  1  0  0  0  0
  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> (222)
222

>  <Formula> (222)
C22H28N4O2

>  <MolWeight> (222)
380.48332

>  <Cat> (222)
S8111

>  <Name> (222)
GSK591 (EPZ015866,GSK3203591)

>  <Synonyms> (222)
EPZ015866, GSK3203591

>  <Target> (222)
Histone Methyltransferase

>  <Form> (222)
Free Base

>  <CAS> (222)
1616391-87-7

>  <URL> (222)
http://www.selleckchem.com/products/gsk591-epz015866-gsk3203591.html

$$$$
HLCL-61.cdx
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.1575    4.9929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1260    7.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4095    6.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5670    5.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    4.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6838    7.2364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289    6.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9387    4.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0289    6.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7386    5.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9963    3.7596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6483    3.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6963    2.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0896    2.5471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7979    1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1764    1.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8858    2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2822    2.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9762    1.2577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2703    0.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8740    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1858    3.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8883    4.9118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9640    8.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161    9.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4067    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  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
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (223)
223

>  <Formula> (223)
C23H25ClN2O

>  <MolWeight> (223)
380.9104

>  <Cat> (223)
S8209

>  <Name> (223)
HLCL-61 hydrochloride

>  <Synonyms> (223)
HLCL61

>  <Target> (223)
Histone Methyltransferase

>  <Form> (223)
Hydrochloride

>  <CAS> (223)
1158279-20-9

>  <URL> (223)
http://www.selleckchem.com/products/hlcl-61-hydrochloride.html

$$$$
I-BRD9 (GSK602).cdx
csChFnd80/12261913382D

 33 36  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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  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    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    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
    2.4249    7.7000    0.0000 N   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
    6.1812    5.8674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    8.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1041    5.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5041    5.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    4.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    4.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    5.7876    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2041    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2941    6.7775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2941    4.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  8 13  1  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
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  2  0  0  0  0
M  END
>  <Mol_ID> (224)
224

>  <Formula> (224)
C22H22F3N3O3S2

>  <MolWeight> (224)
497.5535896

>  <Cat> (224)
S7835

>  <Name> (224)
I-BRD9 (GSK602)

>  <Synonyms> (224)
GSK602

>  <Target> (224)
Epigenetic Reader Domain

>  <Form> (224)
Free Base

>  <CAS> (224)
1714146-59-4

>  <URL> (224)
http://www.selleckchem.com/products/i-brd9-gsk602.html

$$$$
ETC-1002.cdx
csChFnd80/12261913382D

 24 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  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
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
M  END
>  <Mol_ID> (225)
225

>  <Formula> (225)
C19H36O5

>  <MolWeight> (225)
344.48614

>  <Cat> (225)
S7953

>  <Name> (225)
ETC-1002

>  <Synonyms> (225)
Bempedoic acid|ESP-55016

>  <Target> (225)
AMPK

>  <Form> (225)
Free Base

>  <CAS> (225)
738606-46-7

>  <URL> (225)
http://www.selleckchem.com/products/etc-1002.html

$$$$
BI-7273.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    1.2124    4.9000    0.0000 O   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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4870    4.9000    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
    7.2746    7.0000    0.0000 N   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
  5 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 17  1  0  0  0  0
 18 25  2  0  0  0  0
 19 26  1  0  0  0  0
M  END
>  <Mol_ID> (226)
226

>  <Formula> (226)
C20H23N3O3

>  <MolWeight> (226)
353.41492

>  <Cat> (226)
S8179

>  <Name> (226)
BI-7273

>  <Synonyms> (226)
N/A

>  <Target> (226)
Epigenetic Reader Domain

>  <Form> (226)
Free Base

>  <CAS> (226)
1883429-21-7

>  <URL> (226)
http://www.selleckchem.com/products/bi-7273.html

$$$$
MI-136.cdx
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    0.0000   14.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   15.1364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   12.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   13.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   14.8690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.9364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.8364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   13.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   14.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   14.9488    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   16.1613    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   16.1613    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    3.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4432    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432    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
  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 16  1  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 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
 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
 30 32  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (227)
227

>  <Formula> (227)
C23H21F3N6S

>  <MolWeight> (227)
470.5132496

>  <Cat> (227)
S7815

>  <Name> (227)
MI-136

>  <Synonyms> (227)
N/A

>  <Target> (227)
Androgen Receptor

>  <Form> (227)
Free Base

>  <CAS> (227)
1628316-74-4

>  <URL> (227)
http://www.selleckchem.com/products/mi-136.html

$$$$
A-366.cdx
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    1.9508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8572    3.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0343    4.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2817    4.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6461    6.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3987    5.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2572    3.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  1  0  0  0  0
  4 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20  5  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 20  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
>  <Mol_ID> (228)
228

>  <Formula> (228)
C19H27N3O2

>  <MolWeight> (228)
329.43658

>  <Cat> (228)
S7572

>  <Name> (228)
A-366

>  <Synonyms> (228)
N/A

>  <Target> (228)
Histone Methyltransferase

>  <Form> (228)
Free Base

>  <CAS> (228)
1527503-11-2

>  <URL> (228)
http://www.selleckchem.com/products/a-366.html

$$$$
MK-4827(Niraparib) tosylate.cdx
csChFnd80/12261913382D

 35 38  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.4703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.8703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    6.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    7.1703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    8.3030    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.9655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042   10.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207   10.6631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9744    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6744    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1695    7.1703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8695    5.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    5.9579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9695    7.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2695    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    8.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470    0.0024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7801    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7801    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3552    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9883    2.7976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6859    1.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2907    4.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1965    3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  2  0  0  0  0
  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
 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
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 32 35  2  0  0  0  0
M  END
>  <Mol_ID> (229)
229

>  <Formula> (229)
C26H28N4O4S

>  <MolWeight> (229)
492.58992

>  <Cat> (229)
S7625

>  <Name> (229)
MK-4827(Niraparib) tosylate

>  <Synonyms> (229)
Niraparib tosylate, MK 4827 tosylate

>  <Target> (229)
PARP

>  <Form> (229)
4-?methylbenzen

>  <CAS> (229)
1038915-73-9

>  <URL> (229)
http://www.selleckchem.com/products/mk-4827-niraparib-tosylate.html

$$$$
ITSA-1 (ITSA1).cdx
csChFnd80/12261913382D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    3.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    4.3777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.5104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1890    1.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2522    0.8732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8646    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    3.9944    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6666    0.7493    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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
 17 18  1  0  0  0  0
 15 19  1  0  0  0  0
M  END
>  <Mol_ID> (230)
230

>  <Formula> (230)
C13H7Cl2N3O

>  <MolWeight> (230)
292.12018

>  <Cat> (230)
S8323

>  <Name> (230)
ITSA-1 (ITSA1)

>  <Synonyms> (230)
N/A

>  <Target> (230)
HDAC

>  <Form> (230)
Free Base

>  <CAS> (230)
200626-61-5

>  <URL> (230)
http://www.selleckchem.com/products/itsa-1-itsa1.html

$$$$
LY333531.cdx
csChFnd80/12261913382D

 36 40  0  0  0  0  0  0  0  0999 V2000
    5.1134    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5892    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057    9.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8628   10.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7155    9.3301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3916    9.7856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3332    9.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6161    6.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024    6.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424    5.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2925    4.7206    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.4330    5.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2164    5.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3392    4.7709    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.4353    5.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9795    6.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    7.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4377    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9749    5.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863    5.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7112    6.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2747    7.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9072    8.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    3.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0114    3.3635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9444    3.1548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0491    1.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4140    1.7545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5841    3.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    0.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7152    0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7052    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0776    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5852    2.5053    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  2  0  0  0  0
  3  7  2  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17  9  1  0  0  0  0
 10 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 11  1  0  0  0  0
 16 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 17  1  0  0  0  0
 12 26  1  0  0  0  0
 15 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 27 31  1  0  0  0  0
 31 30  1  0  0  0  0
 30 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
M  END
>  <Mol_ID> (231)
231

>  <Formula> (231)
C28H29ClN4O3

>  <MolWeight> (231)
505.00786

>  <Cat> (231)
S7663

>  <Name> (231)
LY333531 HCl

>  <Synonyms> (231)
Ruboxistaurin

>  <Target> (231)
PKC

>  <Form> (231)
hydrochloride

>  <CAS> (231)
169939-93-9

>  <URL> (231)
http://www.selleckchem.com/products/ly333531.html

$$$$
BI-9564.cdx
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    0.0000 N   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
    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
    2.4249    5.6000    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
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    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
    3.6373    6.3000    0.0000 O   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
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (232)
232

>  <Formula> (232)
C20H23N3O3

>  <MolWeight> (232)
353.41492

>  <Cat> (232)
S8113

>  <Name> (232)
BI-9564

>  <Synonyms> (232)
N/A

>  <Target> (232)
Epigenetic Reader Domain

>  <Form> (232)
Free Base

>  <CAS> (232)
1883429-22-8

>  <URL> (232)
http://www.selleckchem.com/products/bi-9564.html

$$$$
BMS-911543.cdx
csChFnd80/12261913382D

 32 37  0  0  0  0  0  0  0  0999 V2000
    6.8547    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    1.3495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2795    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2795    3.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0671    4.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5232    3.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7003    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5232    1.6169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0921    0.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7274    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    2.7495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076    3.9578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6076    1.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    5.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176    5.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    6.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3199    4.3863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7505    5.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3582    5.5190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4246    6.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4878    1.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6960    2.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9750    1.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9117    2.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2117    3.7330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8423    3.4419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2992    2.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7792    5.0075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 16  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23  6  1  0  0  0  0
 23 24  1  0  0  0  0
  4 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 26  2  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
>  <Mol_ID> (233)
233

>  <Formula> (233)
C23H28N8O

>  <MolWeight> (233)
432.52142

>  <Cat> (233)
S7144

>  <Name> (233)
BMS-911543

>  <Synonyms> (233)
N/A

>  <Target> (233)
JAK

>  <Form> (233)
Free Base

>  <CAS> (233)
1271022-90-2

>  <URL> (233)
http://www.selleckchem.com/products/bms-911543.html

$$$$
LLY507.cdx
csChFnd80/12261913382D

 43 48  0  0  0  0  0  0  0  0999 V2000
    4.7699    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    6.7870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5575    8.8870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    9.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   10.9870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   11.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   13.0870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652   13.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   15.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   15.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6182    8.1870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    3.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    2.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    4.6870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2570    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2570    3.2870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5570    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9570    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3896    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8938    0.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2632    0.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6958    1.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7590    2.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 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 14  1  0  0  0  0
  8 19  3  0  0  0  0
  3 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
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 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  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 34  1  0  0  0  0
 37 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 38  1  0  0  0  0
 36 43  1  0  0  0  0
M  END
>  <Mol_ID> (234)
234

>  <Formula> (234)
C36H42N6O

>  <MolWeight> (234)
574.75828

>  <Cat> (234)
S7575

>  <Name> (234)
LLY-507

>  <Synonyms> (234)
N/A

>  <Target> (234)
Histone Methyltransferase

>  <Form> (234)
Free Base

>  <CAS> (234)
1793053-37-8

>  <URL> (234)
http://www.selleckchem.com/products/lly-507.html

$$$$
S4709 Latanoprost.cdx
csChFnd80/12261913382D

 31 32  0  0  0  0  0  0  0  0999 V2000
    3.2373    7.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4598    6.1253    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3483    8.4038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    6.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9670    4.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892    7.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7173    9.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507    4.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7356    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    3.3023    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2415    3.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    2.2106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8356    7.3743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7487    1.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1324    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6267    0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9916    2.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6356    9.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6356    7.3743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0794    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4215    2.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0356    9.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    1.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356    8.5868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   11.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  6  0  0  0
  5  7  1  0  0  0  0
  6 11  1  0  0  0  0
  9 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  6  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 24  1  0  0  0  0
 21 25  2  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
 26 29  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (235)
235

>  <Formula> (235)
C26H40O5

>  <MolWeight> (235)
432.5928

>  <Cat> (235)
S4709

>  <Name> (235)
Latanoprost

>  <Synonyms> (235)
Xalatan, PhXA41, PHXA-41

>  <Target> (235)
GPR

>  <Form> (235)
Free Base

>  <CAS> (235)
130209-82-4

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

$$$$
CPI-637.cdx
csChFnd80/12261913382D

 29 33  0  0  0  0  0  0  0  0999 V2000
    3.0956    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5205    6.7608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3080    7.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    7.1935    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9412    6.0608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    8.5249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    3.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453    2.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    3.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578    4.6608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9453    5.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4610    5.1723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8736    6.5101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0850    7.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6889    7.7715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7367    6.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1774    9.0747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2580    6.7188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  9 10  1  0  0  0  0
  7 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 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 22  1  0  0  0  0
 22 17  1  0  0  0  0
 21 23  1  6  0  0  0
 19 24  2  0  0  0  0
 10 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 10  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (236)
236

>  <Formula> (236)
C22H22N6O

>  <MolWeight> (236)
386.44968

>  <Cat> (236)
S8190

>  <Name> (236)
CPI-637

>  <Synonyms> (236)
N/A

>  <Target> (236)
Epigenetic Reader Domain

>  <Form> (236)
Free Base

>  <CAS> (236)
1884712-47-3

>  <URL> (236)
http://www.selleckchem.com/products/cpi-637.html

$$$$
OICR-9429.cdx
csChFnd80/12261913382D

 40 44  0  0  0  0  0  0  0  0999 V2000
    0.0000   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   16.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.7000    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    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  7  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  9 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  9  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  2  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 28  1  0  0  0  0
 34 35  1  0  0  0  0
 32 31  1  0  0  0  0
 32 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
>  <Mol_ID> (237)
237

>  <Formula> (237)
C29H32F3N5O3

>  <MolWeight> (237)
555.5912896

>  <Cat> (237)
S7833

>  <Name> (237)
OICR-9429

>  <Synonyms> (237)
N/A

>  <Target> (237)
Histone Methyltransferase

>  <Form> (237)
Free Base

>  <CAS> (237)
1801787-56-3

>  <URL> (237)
http://www.selleckchem.com/products/oicr-9429.html

$$$$
CPI-1205.cdx
csChFnd80/12261913382D

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.2082    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    4.2896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7450    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9818    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6123    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1776    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5470    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4838    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0512    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5492    5.1499    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7292    6.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9367    5.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7596    4.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1519    4.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7214    5.5884    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8985    6.7211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5061    6.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1089    5.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9289    4.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7490    3.4769    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.8002    3.7855    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.0576    5.4256    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    0.0993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    0.0968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5756    4.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 14 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 15  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 12 35  2  0  0  0  0
  3 36  2  0  0  0  0
 17 37  1  0  0  0  0
M  END
>  <Mol_ID> (238)
238

>  <Formula> (238)
C27H33F3N4O3

>  <MolWeight> (238)
518.5711296

>  <Cat> (238)
S8353

>  <Name> (238)
CPI-1205

>  <Synonyms> (238)
CPI 1205, CPI1205

>  <Target> (238)
Histone Methyltransferase

>  <Form> (238)
Free Base

>  <CAS> (238)
1621862-70-1

>  <URL> (238)
http://www.selleckchem.com/products/cpi-1205.html

$$$$
BGP-15.cdx
csChFnd80/12261913382D

 22 21  0  0  0  0  0  0  0  0999 V2000
    8.2476    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2476    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6725    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4600    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8849    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8849    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0973    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3098    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5222    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7347    2.8000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.7347    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9471    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1595    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3720    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5844    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5844    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3720    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
M  END
>  <Mol_ID> (239)
239

>  <Formula> (239)
C14H24Cl2N4O2

>  <MolWeight> (239)
351.27196

>  <Cat> (239)
S8370

>  <Name> (239)
BGP-15 2HCl

>  <Synonyms> (239)
N/A

>  <Target> (239)
PARP

>  <Form> (239)
dihydrochloride

>  <CAS> (239)
66611-37-8

>  <URL> (239)
http://www.selleckchem.com/products/bgp-15.html

$$$$
CPI-455.cdx
csChFnd80/12261913382D

 22 23  0  0  0  0  0  0  0  0999 V2000
    2.1958    5.3355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958    3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    3.2355    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6206    3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6206    5.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    6.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    5.7681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414    4.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4317    2.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    7.4355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8331    6.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    5.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8331    7.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8331    3.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8331    1.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2579    1.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2579    3.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0455    3.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8665    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  2  0  0  0  0
  9 10  1  0  0  0  0
  6 11  2  0  0  0  0
  5 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 10 21  3  0  0  0  0
M  END
>  <Mol_ID> (240)
240

>  <Formula> (240)
C16H15ClN4O

>  <MolWeight> (240)
314.7695

>  <Cat> (240)
S8287

>  <Name> (240)
CPI-455 HCl

>  <Synonyms> (240)
N/A

>  <Target> (240)
Histone Demethylase

>  <Form> (240)
hydrochloride

>  <CAS> (240)
1628208-23-0(free base)

>  <URL> (240)
http://www.selleckchem.com/products/cpi-455.html

$$$$
UNC3866.cdx
csChFnd80/12261913382D

 57 58  0  0  0  0  0  0  0  0999 V2000
    4.8582    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0706    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7079    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9204    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    4.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3452    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5577    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.9825    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    4.2073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    4.9073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.6199    4.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8323    4.9073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0447    4.2073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0706    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3452    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6199    2.8073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2572    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4696    4.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6820    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2572    6.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    7.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6415    4.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4955    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7079    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1413    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1412    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9246    2.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4074    6.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6199    7.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6199    8.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8323    9.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7701    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0447    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    2.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9825    0.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1950    2.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2572    2.1073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8323   10.5073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0447   11.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6199   11.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6199   12.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0447   12.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  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
  2 17  2  0  0  0  0
  5 18  2  0  0  0  0
  8 19  2  0  0  0  0
 11 20  2  0  0  0  0
 14 21  2  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
  1 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  1  1  0  0  0  0
 28 31  1  0  0  0  0
  4 32  1  6  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 33  1  0  0  0  0
  7 39  1  1  0  0  0
 13 40  1  1  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 10 44  1  6  0  0  0
 16 45  1  6  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  1  0  0  0  0
 45 49  1  0  0  0  0
 43 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 52  1  0  0  0  0
 52 53  1  0  0  0  0
 51 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
>  <Mol_ID> (241)
241

>  <Formula> (241)
C43H66N6O8

>  <MolWeight> (241)
795.01954

>  <Cat> (241)
S8359

>  <Name> (241)
UNC3866

>  <Synonyms> (241)
Free Base

>  <Target> (241)
Histone Methyltransferase

>  <Form> (241)
Free Base

>  <CAS> (241)
1872382-47-2

>  <URL> (241)
http://www.selleckchem.com/products/unc3866.html

$$$$
MS049.cdx
csChFnd80/12261913382D

 20 19  0  0  0  0  0  0  0  0999 V2000
    7.4874    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4874    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6998    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9123    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9123    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6998    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1247    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3371    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5496    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5496    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7620    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9744    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9744    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7620    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1869    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3993    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6117    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8242    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   26.3693    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   26.3693    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (242)
242

>  <Formula> (242)
C15H26Cl2N2O

>  <MolWeight> (242)
321.28574

>  <Cat> (242)
S8147

>  <Name> (242)
MS049

>  <Synonyms> (242)
N/A

>  <Target> (242)
Histone Methyltransferase

>  <Form> (242)
dihydrochloride

>  <CAS> (242)
1502816-23-0(free base)

>  <URL> (242)
http://www.selleckchem.com/products/ms049.html

$$$$
SRT2183.cdx
csChFnd80/12261913382D

 34 39  0  0  0  0  0  0  0  0999 V2000
    8.1864   12.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864   12.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864   13.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864   14.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864   14.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4864   13.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4864   10.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    9.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864    9.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864   10.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864    8.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864    7.3531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864    8.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864    6.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5864    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864    3.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3864    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6864    6.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1864    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3635    6.0608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321    5.6282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321    4.2282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3635    3.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    6.0608    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.8777    4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    3.7956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2680    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    2.1730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8581    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    1.0404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3291    0.8941    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  2  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 15 20  1  0  0  0  0
 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 20  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 23  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 29  1  0  0  0  0
 32 34  1  6  0  0  0
M  END
>  <Mol_ID> (243)
243

>  <Formula> (243)
C27H24N4O2S

>  <MolWeight> (243)
468.57006

>  <Cat> (243)
S8270

>  <Name> (243)
SRT2183

>  <Synonyms> (243)
N/A

>  <Target> (243)
Sirtuin

>  <Form> (243)
Free Base

>  <CAS> (243)
1001908-89-9

>  <URL> (243)
http://www.selleckchem.com/products/srt2183.html

$$$$
UNC0638.cdx
csChFnd80/12261913382D

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.0580    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    4.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6953    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2704    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    8.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    6.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    9.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    4.8976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9077    2.0976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3326    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5450    2.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7575    2.0976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1201    4.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9038    0.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2732    0.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9732    1.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0364    2.6670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082   10.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
 11 15  1  0  0  0  0
  7 19  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 21  1  0  0  0  0
 23 24  1  0  0  0  0
  8 20  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 18 30  1  0  0  0  0
 18 31  1  0  0  0  0
  2 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 37  1  0  0  0  0
 37 32  1  0  0  0  0
M  END
>  <Mol_ID> (244)
244

>  <Formula> (244)
C30H47N5O2

>  <MolWeight> (244)
509.72648

>  <Cat> (244)
S8071

>  <Name> (244)
UNC0638

>  <Synonyms> (244)
N/A

>  <Target> (244)
Histone Methyltransferase

>  <Form> (244)
Free Base

>  <CAS> (244)
1255580-76-7

>  <URL> (244)
http://www.selleckchem.com/products/unc0638.html

$$$$
EPZ020411.cdx
csChFnd80/12261913382D

 34 35  0  0  0  0  0  0  0  0999 V2000
   16.2085    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9085    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3085    3.4282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0085    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3085    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9085    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0085    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4391    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4795    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6919    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4008    2.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3376    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7070    2.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1396    1.4873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6438    3.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0132    3.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9500    4.6085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3194    4.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2085    7.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8085    7.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8185    8.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8286    7.0655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8185    6.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4286    7.0655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7286    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3286    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3286   10.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   11.9152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286   11.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5286   10.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2286    9.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   27.4593    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   27.4593    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 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 22 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
>  <Mol_ID> (245)
245

>  <Formula> (245)
C25H40Cl2N4O3

>  <MolWeight> (245)
515.5161

>  <Cat> (245)
S7820

>  <Name> (245)
EPZ020411 2HCl

>  <Synonyms> (245)
N/A

>  <Target> (245)
Histone Methyltransferase

>  <Form> (245)
dihydrochloride

>  <CAS> (245)
1700663-41-7(free base)

>  <URL> (245)
http://www.selleckchem.com/products/epz020411.html

$$$$
MI-463.cdx
csChFnd80/12261913382D

 34 38  0  0  0  0  0  0  0  0999 V2000
    0.0000   14.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.0364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   15.1364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   12.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792   13.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564   14.8690    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.9364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.8364    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.2364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   13.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792   14.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0792   14.9488    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   16.1613    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   16.1613    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533    2.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    2.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    3.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4432    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1432    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    6.7340    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 16  1  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 14 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
 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
 30 32  1  0  0  0  0
 28 34  1  0  0  0  0
 32 33  3  0  0  0  0
M  END
>  <Mol_ID> (246)
246

>  <Formula> (246)
C24H23F3N6S

>  <MolWeight> (246)
484.5398296

>  <Cat> (246)
S7816

>  <Name> (246)
MI-463

>  <Synonyms> (246)
N/A

>  <Target> (246)
Histone Methyltransferase

>  <Form> (246)
Free Base

>  <CAS> (246)
1628317-18-9

>  <URL> (246)
http://www.selleckchem.com/products/mi-463.html

$$$$
RRx-001.cdx
csChFnd80/12261913382D

 14 14  0  0  0  0  0  0  0  0999 V2000
    3.3356    1.3488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290    2.3422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3356    3.3356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    3.3322    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.7146    4.6845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9698    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3523    1.3523    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7290    2.3422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    3.5547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    1.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290    1.1298    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  1  0  0  0  0
  4  1  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  2 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
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
M  END
>  <Mol_ID> (247)
247

>  <Formula> (247)
C5H6BrN3O5

>  <MolWeight> (247)
268.02224

>  <Cat> (247)
S8405

>  <Name> (247)
RRx-001

>  <Synonyms> (247)
N/A

>  <Target> (247)
Dehydrogenase

>  <Form> (247)
Free Base

>  <CAS> (247)
925206-65-1

>  <URL> (247)
http://www.selleckchem.com/products/rrx-001.html

$$$$
Thiomyristoyl.cdx
csChFnd80/12261913382D

 41 42  0  0  0  0  0  0  0  0999 V2000
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  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
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 40  1  0  0  0  0
 27 41  2  0  0  0  0
M  END
>  <Mol_ID> (248)
248

>  <Formula> (248)
C34H51N3O3S

>  <MolWeight> (248)
581.85204

>  <Cat> (248)
S8245

>  <Name> (248)
Thiomyristoyl

>  <Synonyms> (248)
TM

>  <Target> (248)
Sirtuin

>  <Form> (248)
Free Base

>  <CAS> (248)
1429749-41-6

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

$$$$
Salermide.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   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
    6.0622    8.4000    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
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    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    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 14  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 13  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 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 24  1  0  0  0  0
M  END
>  <Mol_ID> (249)
249

>  <Formula> (249)
C26H22N2O2

>  <MolWeight> (249)
394.46508

>  <Cat> (249)
S8460

>  <Name> (249)
Salermide

>  <Synonyms> (249)
N/A

>  <Target> (249)
Sirtuin

>  <Form> (249)
Free Base

>  <CAS> (249)
1105698-15-4

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

$$$$
YC-1.cdx
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
    2.3715    8.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    7.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8424    6.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0549    6.9349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7638    8.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    6.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6249    4.9961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0172    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5867    6.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5463    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9181    6.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2092    7.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1688    8.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8373    8.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0172    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6172    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6172    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0172    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  6  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 11  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
  7 23  1  0  0  0  0
M  END
>  <Mol_ID> (250)
250

>  <Formula> (250)
C19H16N2O2

>  <MolWeight> (250)
304.34254

>  <Cat> (250)
S7958

>  <Name> (250)
Lificiguat(YC-1)

>  <Synonyms> (250)
N/A

>  <Target> (250)
HIF

>  <Form> (250)
Free Base

>  <CAS> (250)
170632-47-0

>  <URL> (250)
http://www.selleckchem.com/products/lificiguat-yc-1.html

$$$$
ABBV-075 (Mivebresib).cdx
csChFnd80/12261913382D

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.2082    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3879    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8413    5.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    8.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    7.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    8.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8909    7.6903    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884    8.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9836    8.8985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1933    6.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0991    6.9927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6973    3.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9348    2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158    1.5953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    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
  1  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  2  0  0  0  0
 11 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  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  2  0  0  0  0
 23 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 24  1  0  0  0  0
 25 31  2  0  0  0  0
 26 32  1  0  0  0  0
M  END
>  <Mol_ID> (251)
251

>  <Formula> (251)
C22H19F2N3O4S

>  <MolWeight> (251)
459.4657664

>  <Cat> (251)
S8400

>  <Name> (251)
ABBV-075 (Mivebresib)

>  <Synonyms> (251)
N/A

>  <Target> (251)
Epigenetic Reader Domain

>  <Form> (251)
Free Base

>  <CAS> (251)
1445993-26-9

>  <URL> (251)
http://www.selleckchem.com/products/mivebresib-abbv-075.html

$$$$
Citarinostat (ACY-241).cdx
csChFnd80/12261913382D

 33 35  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
    1.2124    2.8000    0.0000 Cl  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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    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
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  3  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 10 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 10  1  0  0  0  0
 13 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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (252)
252

>  <Formula> (252)
C24H26ClN5O3

>  <MolWeight> (252)
467.94794

>  <Cat> (252)
S8464

>  <Name> (252)
Citarinostat (ACY-241)

>  <Synonyms> (252)
HDAC-IN-2

>  <Target> (252)
HDAC

>  <Form> (252)
Free Base

>  <CAS> (252)
1316215-12-9

>  <URL> (252)
http://www.selleckchem.com/products/citarinostat-acy-241.html

$$$$
E7449.cdx
csChFnd80/12261913382D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    9.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (253)
253

>  <Formula> (253)
C18H15N5O

>  <MolWeight> (253)
317.3446

>  <Cat> (253)
S8419

>  <Name> (253)
E7449

>  <Synonyms> (253)
N/A

>  <Target> (253)
PARP

>  <Form> (253)
Free Base

>  <CAS> (253)
1140964-99-3

>  <URL> (253)
http://www.selleckchem.com/products/e7449.html

$$$$
MK-8617.cdx
csChFnd80/12261913382D

 33 36  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  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
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  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  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 18 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 18  1  0  0  0  0
 22 30  1  0  0  0  0
 30 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
>  <Mol_ID> (254)
254

>  <Formula> (254)
C24H21N5O4

>  <MolWeight> (254)
443.45464

>  <Cat> (254)
S8443

>  <Name> (254)
MK-8617

>  <Synonyms> (254)
N/A

>  <Target> (254)
HIF

>  <Form> (254)
Free Base

>  <CAS> (254)
1187990-87-9
1187990-87-9
1187990-87-9

>  <URL> (254)
http://www.selleckchem.com/products/mk-8617.html

$$$$
NMS-P118.cdx
csChFnd80/12261913382D

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6331    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.9646    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9646    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3957    3.8595    0.0000 O   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
    7.8826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9826    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3778    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0778    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4778    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1778    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4778    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0778    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    4.8927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2465    2.2968    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.2465    0.5032    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  9 10  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 15  1  0  0  0  0
 15 16  1  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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
  5 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
>  <Mol_ID> (255)
255

>  <Formula> (255)
C20H24F3N3O2

>  <MolWeight> (255)
395.4186696

>  <Cat> (255)
S8363

>  <Name> (255)
NMS-P118

>  <Synonyms> (255)
N/A

>  <Target> (255)
PARP

>  <Form> (255)
Free Base

>  <CAS> (255)
1262417-51-5

>  <URL> (255)
http://www.selleckchem.com/products/nms-p118.html

$$$$
GSK6853.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    2.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6326    2.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    7.1917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    8.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    5.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.4041    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1000    9.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.6166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    8.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    9.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   10.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   10.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    8.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    9.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   10.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359    1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    1.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 10  1  0  0  0  0
 13 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 13  1  0  0  0  0
 15 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 28  1  0  0  0  0
  9 29  1  0  0  0  0
  8 30  2  0  0  0  0
M  END
>  <Mol_ID> (256)
256

>  <Formula> (256)
C22H27N5O3

>  <MolWeight> (256)
409.48148

>  <Cat> (256)
S8265

>  <Name> (256)
GSK6853

>  <Synonyms> (256)
N/A

>  <Target> (256)
Epigenetic Reader Domain

>  <Form> (256)
Free Base

>  <CAS> (256)
1910124-24-1

>  <URL> (256)
http://www.selleckchem.com/products/gsk6853.html

$$$$
SRT3025.cdx
csChFnd80/12261913382D

 41 45  0  0  0  0  0  0  0  0999 V2000
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    0.2674    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.2199    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3970    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    0.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4199    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    3.8249    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3199    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6199    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    7.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1489    8.4655    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9365    7.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2275    6.3961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6575    8.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5587    7.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4955    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8649    7.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8017    6.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1711    6.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5112    9.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2322   10.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0996    9.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2459    8.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5249    7.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1001    5.1565    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  1 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 11  1  0  0  0  0
  8 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 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 24  1  0  0  0  0
 28 30  1  0  0  0  0
 26 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
 30 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 30  1  0  0  0  0
M  END
>  <Mol_ID> (257)
257

>  <Formula> (257)
C31H32ClN5O2S2

>  <MolWeight> (257)
606.20108

>  <Cat> (257)
S8481

>  <Name> (257)
SRT3025 HCl

>  <Synonyms> (257)
N/A

>  <Target> (257)
Sirtuin activator

>  <Form> (257)
hydrochloride

>  <CAS> (257)
2070015-26-6

>  <URL> (257)
http://www.selleckchem.com/products/srt3025.html

$$$$
EED226.cdx
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    1.9430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    1.7967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    3.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.1124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4033    5.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2707    7.5048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  8  2  0  0  0  0
  9 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
  7 24  2  0  0  0  0
  7 25  2  0  0  0  0
  7 26  1  0  0  0  0
M  END
>  <Mol_ID> (258)
258

>  <Formula> (258)
C17H15N5O3S

>  <MolWeight> (258)
369.3977

>  <Cat> (258)
S8496

>  <Name> (258)
EED226

>  <Synonyms> (258)
N/A

>  <Target> (258)
Epigenetic Reader Domain

>  <Form> (258)
Free Base

>  <CAS> (258)
2083627-02-3

>  <URL> (258)
http://www.selleckchem.com/products/eed226.html

$$$$
BIX01294 3HCl.cdx
csChFnd80/12261913382D

 39 40  0  0  0  0  0  0  0  0999 V2000
    8.3489    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    5.3964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489    6.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5613    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7738    6.0964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9862    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7738    3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5613    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489    7.4964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    9.5964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9240   10.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    9.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    8.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9240    7.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116    8.1964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   10.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   11.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   12.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2867   13.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4992   14.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116   13.7964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7116   12.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986    3.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4111    3.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1986    6.0964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4111    5.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9240    3.2964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0105    1.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0205    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    1.1567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    2.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4295    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7673    4.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8294    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7222   18.6578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   18.6578    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8611    8.9356    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  5 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 19 24  2  0  0  0  0
 18 19  1  0  0  0  0
 12 18  1  0  0  0  0
 11 15  1  0  0  0  0
 25 26  1  0  0  0  0
  8 25  1  0  0  0  0
 27 28  1  0  0  0  0
  7 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 29 35  1  0  0  0  0
 32 36  1  0  0  0  0
  2 29  1  0  0  0  0
M  END
>  <Mol_ID> (259)
259

>  <Formula> (259)
C28H41Cl3N6O2

>  <MolWeight> (259)
600.02314

>  <Cat> (259)
S8006

>  <Name> (259)
BIX 01294

>  <Synonyms> (259)
N/A

>  <Target> (259)
Histone Methyltransferase

>  <Form> (259)
trihydrochloride

>  <CAS> (259)
1392399-03-9

>  <URL> (259)
http://www.selleckchem.com/products/bix-01294.html

$$$$
A-196.cdx
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3000    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
    2.4249    4.2000    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
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    8.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    9.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085   10.4923    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    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
M  END
>  <Mol_ID> (260)
260

>  <Formula> (260)
C18H16Cl2N4

>  <MolWeight> (260)
359.25244

>  <Cat> (260)
S7983

>  <Name> (260)
S7983
S7983
A-196

>  <Synonyms> (260)
N/A

>  <Target> (260)
SUV420H1,SUV420H2

>  <Form> (260)
free base

>  <CAS> (260)
1982372-88-2

>  <URL> (260)
http://www.selleckchem.com/products/a-196.html

$$$$
SGC2085.cdx
csChFnd80/12261913382D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    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
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 12 14  1  0  0  0  0
 10 15  1  0  0  0  0
  6 16  1  0  0  0  0
  4 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  1  0  0  0
M  END
>  <Mol_ID> (261)
261

>  <Formula> (261)
C19H24N2O2

>  <MolWeight> (261)
312.40606

>  <Cat> (261)
S8340

>  <Name> (261)
SGC2085

>  <Synonyms> (261)
N/A

>  <Target> (261)
CARM1

>  <Form> (261)
free base

>  <CAS> (261)
1821908-48-8

>  <URL> (261)
http://www.selleckchem.com/products/sgc2085.html

$$$$
TMP195.cdx
csChFnd80/12261913382D

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.2205    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2205    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4329    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0081    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8578    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2827    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7076    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7951    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1951    0.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8617    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4923    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7923    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7291    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9865    2.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9233    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2233    4.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8539    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    1.8457    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5771    4.2573    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1246    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.3156    3.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8851    1.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2774    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1003    2.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5309    4.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1385    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
  7 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  7  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 13  2  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 21 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 28  1  0  0  0  0
M  END
>  <Mol_ID> (262)
262

>  <Formula> (262)
C23H19F3N4O3

>  <MolWeight> (262)
456.4171696

>  <Cat> (262)
S8502

>  <Name> (262)
TMP195

>  <Synonyms> (262)
TFMO 2

>  <Target> (262)
HDAC9,HDAC7,HDAC4,HDAC5

>  <Form> (262)
free base

>  <CAS> (262)
1314891-22-9

>  <URL> (262)
http://www.selleckchem.com/products/tmp195.html

$$$$
SF2523.cdx
csChFnd80/12261913382D

 26 30  0  0  0  0  0  0  0  0999 V2000
    3.5661    8.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5661    6.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    6.0989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    6.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    8.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    8.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    8.6316    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    7.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786   10.2989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    6.0989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    4.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    3.9989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    4.6989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    6.0989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    6.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    1.0404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4409    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    1.6226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  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
  6 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 11  1  0  0  0  0
  9 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
M  END
>  <Mol_ID> (263)
263

>  <Formula> (263)
C19H17NO5S

>  <MolWeight> (263)
371.40698

>  <Cat> (263)
S8589

>  <Name> (263)
SF2523

>  <Synonyms> (263)
N/A

>  <Target> (263)
DNA-PK,PI3K¦Á,PI3K¦Ã ,BRD4,mTOR

>  <Form> (263)
free base

>  <CAS> (263)
1174428-47-7

>  <URL> (263)
http://www.selleckchem.com/products/sf2523.html

$$$$
LW 6.cdx
csChFnd80/12261913382D

 32 36  0  0  0  0  0  0  0  0999 V2000
    4.9683    1.2031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0669    2.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9655    3.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669    2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8669    2.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    2.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1672    3.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5655    3.6319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2666    4.8463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2643    2.4214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6669    2.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3690    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7683    1.2145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4669    2.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7648    3.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3655    3.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4648    4.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7644    6.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8641    4.8522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5649    6.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6238    3.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3082    4.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2357    3.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788    1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7944    1.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2688    1.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844    0.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294    2.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  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
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
  7 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28  7  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
  7 31  1  0  0  0  0
 25 32  1  0  0  0  0
 32 30  1  0  0  0  0
M  END
>  <Mol_ID> (264)
264

>  <Formula> (264)
C26H29NO5

>  <MolWeight> (264)
435.51216

>  <Cat> (264)
S8441

>  <Name> (264)
LW 6

>  <Synonyms> (264)
N/A

>  <Target> (264)
HIF-1¦Á

>  <Form> (264)
free base

>  <CAS> (264)
934593-90-5

>  <URL> (264)
http://www.selleckchem.com/products/lw-6.html

$$$$
Tucidinostat (Chidamide).cdx
csChFnd80/12261913382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    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
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   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    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  1 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 13 22  2  0  0  0  0
  9 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27  9  1  0  0  0  0
 23 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (265)
265

>  <Formula> (265)
C22H19FN4O2

>  <MolWeight> (265)
390.4102632

>  <Cat> (265)
S8567

>  <Name> (265)
Tucidinostat (Chidamide)

>  <Synonyms> (265)
HBI-8000, CS-055

>  <Target> (265)
HDAC3,HDAC10,HDAC1,HDAC2 

>  <Form> (265)
free base

>  <CAS> (265)
743420-02-2

>  <URL> (265)
http://www.selleckchem.com/products/tucidinostat-chidamide.html

$$$$
3-TYP.cdx
csChFnd80/12261913382D

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.4282    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
M  END
>  <Mol_ID> (266)
266

>  <Formula> (266)
C7H6N4

>  <MolWeight> (266)
146.14934

>  <Cat> (266)
S8628

>  <Name> (266)
3-TYP

>  <Synonyms> (266)
3-(1H-1,2,3-triazol-4-yl) pyridine

>  <Target> (266)
SIRT3,SIRT1,SIRT2

>  <Form> (266)
free base

>  <CAS> (266)
120241-79-4

>  <URL> (266)
http://www.selleckchem.com/products/3-typ.html

$$$$
PF-06726304.cdx
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    3.4282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    2.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    6.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 10 22  2  0  0  0  0
  6 23  1  0  0  0  0
  3 24  1  0  0  0  0
 11 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 11  1  0  0  0  0
 28 29  1  0  0  0  0
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (267)
267

>  <Formula> (267)
C22H21Cl2N3O3

>  <MolWeight> (267)
446.32644

>  <Cat> (267)
S8494

>  <Name> (267)
PF-06726304

>  <Synonyms> (267)
PF-6726304

>  <Target> (267)
Ezh2 (wild-type),EZH2 Y641N

>  <Form> (267)
free base

>  <CAS> (267)
1616287-82-1

>  <URL> (267)
http://www.selleckchem.com/products/pf-06726304.html

$$$$
CP2.cdx
csChFnd80/12261913382D

143150  0  0  0  0  0  0  0  0999 V2000
    9.6434    3.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434    5.1899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1794    5.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5990    4.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3271    4.8570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2434    3.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5434    5.1899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5434    2.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1151    2.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2979    3.8476    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6949    3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9247    4.1207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6949    2.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8217    1.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6389    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3455    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2348    0.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7110    2.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9414    0.3165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8273    2.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4650    4.1207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.7907    4.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    3.8476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3264    3.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8374    1.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1796    2.4060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0626    4.8570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2103    5.9677    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.2629    6.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0463    5.1899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2529    5.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4506    5.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3029    3.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6909    4.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2267    5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3744    6.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9864    6.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6147    5.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1762    8.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9638    9.1074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.5830   10.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1860    7.9434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8764    9.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3887    9.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6011    8.4074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.3887   10.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6942   12.8791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.3061   13.0618    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.3977   14.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0330   11.6887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7977   14.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5464   13.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2299   11.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.3853   17.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0330   17.2290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.5830   18.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3061   15.8559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8764   19.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.1201   21.2858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4723   21.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8347   23.0005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.4623   20.6582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7477   18.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7577   19.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2967   21.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1860   20.9743    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.2629   22.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9638   19.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.2529   23.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1139   23.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0463   23.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7907   24.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2103   22.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3264   25.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2746   26.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919   25.0701    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6948   25.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4649   24.7970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6948   26.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1822   27.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8215   26.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0286   28.0666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8808   29.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1822   28.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6257   30.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6903   31.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0100   30.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2651   29.6192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5624   26.1493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9247   24.7970    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5990   24.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2978   25.0701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0633   25.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8679   25.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5055   27.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532   27.5987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4955   28.2263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2101   26.5116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2202   25.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3271   24.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1794   22.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1268   22.0269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3434   23.7278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1368   23.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9551   23.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551   22.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8945   22.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7118   24.2908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9527   24.8713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580   25.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6678   26.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9314   27.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0852   26.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   20.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4259   19.8103    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8067   18.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2037   20.9743    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5133   19.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   20.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   20.7203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   20.0203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   18.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   17.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   18.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   17.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6955   16.0386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0836   15.8558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9920   14.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567   17.2289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920   14.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8433   14.9279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1598   17.3320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0836   13.0618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1268    6.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2037    7.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1368    5.9008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3567   11.6887    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8067   10.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0044   11.3264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0144   12.3163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6420    9.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4259    9.1074    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
 12  4  1  0  0  0  0
 24 11  1  0  0  0  0
 31 23  1  0  0  0  0
 43 30  1  0  0  0  0
 51 42  1  0  0  0  0
 58 50  1  0  0  0  0
 69 57  1  0  0  0  0
 74 68  1  0  0  0  0
 79 73  1  0  0  0  0
 93 78  1  0  0  0  0
104 92  1  0  0  0  0
118103  1  0  0  0  0
130117  1  0  0  0  0
129134  1  0  0  0  0
  3135  1  0  0  0  0
135136  1  0  0  0  0
135137  2  0  0  0  0
138134  1  0  0  0  0
138139  1  0  0  0  0
138140  1  1  0  0  0
140141  2  0  0  0  0
140142  1  0  0  0  0
139143  1  0  0  0  0
143136  1  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 10  9  1  6  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 17 20  1  0  0  0  0
 23 25  2  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
 22 21  1  6  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 29 28  1  6  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 30 32  2  0  0  0  0
 28 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 33 38  1  0  0  0  0
 36 39  1  0  0  0  0
 42 44  2  0  0  0  0
 41 43  1  0  0  0  0
 41 42  1  0  0  0  0
 41 40  1  6  0  0  0
 40 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  2  0  0  0  0
 50 52  2  0  0  0  0
 49 51  1  6  0  0  0
 49 50  1  0  0  0  0
 49 48  1  0  0  0  0
 48 53  1  0  0  0  0
 48 54  1  6  0  0  0
 57 59  2  0  0  0  0
 56 58  1  0  0  0  0
 56 57  1  0  0  0  0
 56 55  1  6  0  0  0
 60 65  1  0  0  0  0
 60 61  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 55 64  1  0  0  0  0
 64 65  1  0  0  0  0
 68 70  2  0  0  0  0
 67 69  1  0  0  0  0
 67 68  1  0  0  0  0
 67 66  1  6  0  0  0
 66 71  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  1  0  0  0  0
 73 75  2  0  0  0  0
 77 76  1  6  0  0  0
 77 78  1  0  0  0  0
 77 79  1  0  0  0  0
 78 80  2  0  0  0  0
 76 81  1  0  0  0  0
 81 82  2  0  0  0  0
 82 83  1  0  0  0  0
 83 84  1  0  0  0  0
 84 85  2  0  0  0  0
 81 85  1  0  0  0  0
 84 86  1  0  0  0  0
 86 87  2  0  0  0  0
 87 88  1  0  0  0  0
 88 89  2  0  0  0  0
 85 89  1  0  0  0  0
 92 94  2  0  0  0  0
 91 93  1  0  0  0  0
 91 92  1  0  0  0  0
 91 90  1  6  0  0  0
 95100  1  0  0  0  0
 95 96  1  0  0  0  0
 96 97  2  0  0  0  0
 96 98  1  0  0  0  0
 90 99  1  0  0  0  0
 99100  1  0  0  0  0
102101  1  6  0  0  0
102103  1  0  0  0  0
102104  1  0  0  0  0
103105  2  0  0  0  0
101106  1  0  0  0  0
106107  2  0  0  0  0
107108  1  0  0  0  0
108109  1  0  0  0  0
109110  2  0  0  0  0
106110  1  0  0  0  0
109111  1  0  0  0  0
111112  2  0  0  0  0
112113  1  0  0  0  0
113114  2  0  0  0  0
110114  1  0  0  0  0
116115  1  6  0  0  0
116117  1  0  0  0  0
116118  1  0  0  0  0
117119  2  0  0  0  0
115120  1  0  0  0  0
120121  2  0  0  0  0
121122  1  0  0  0  0
122123  2  0  0  0  0
123124  1  0  0  0  0
124125  2  0  0  0  0
120125  1  0  0  0  0
123126  1  0  0  0  0
129131  2  0  0  0  0
128130  1  6  0  0  0
128129  1  0  0  0  0
128127  1  0  0  0  0
127132  1  0  0  0  0
127133  1  6  0  0  0
M  END
>  <Mol_ID> (268)
268

>  <Formula> (268)
C92H120N24O26S

>  <MolWeight> (268)
2010.1474

>  <Cat> (268)
S8601

>  <Name> (268)
CP2

>  <Synonyms> (268)
N/A

>  <Target> (268)
KDM4C,KDM4A

>  <Form> (268)
free base

>  <CAS> (268)
No

>  <URL> (268)
http://www.selleckchem.com/products/cp2.html

$$$$
PF-06409577.cdx
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    4.8497    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8185    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2512    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    4.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144    4.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2024    5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2225    5.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  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
 10 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  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
  7 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  7  1  0  0  0  0
M  END
>  <Mol_ID> (269)
269

>  <Formula> (269)
C19H16ClNO3

>  <MolWeight> (269)
341.78824

>  <Cat> (269)
S8335

>  <Name> (269)
PF-06409577

>  <Synonyms> (269)
N/A

>  <Target> (269)
AMPK ¦Á2¦Â1¦Ã1,AMPK ¦Á1¦Â1¦Ã1

>  <Form> (269)
free base

>  <CAS> (269)
1467057-23-3

>  <URL> (269)
http://www.selleckchem.com/products/pf-06409577.html

$$$$
ACY-738.cdx
csChFnd80/12261913382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.6000    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
    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
    2.4249    5.6000    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
    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    2.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  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
 12 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
  7 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  7  1  0  0  0  0
M  END
>  <Mol_ID> (270)
270

>  <Formula> (270)
C14H14N4O2

>  <MolWeight> (270)
270.28656

>  <Cat> (270)
S8648

>  <Name> (270)
ACY-738

>  <Synonyms> (270)
N/A

>  <Target> (270)
HDAC6

>  <Form> (270)
free base

>  <CAS> (270)
1375465-91-0

>  <URL> (270)
http://www.selleckchem.com/products/acy-738.html

$$$$
FM-381.cdx
csChFnd80/12261913382D

 32 36  0  0  0  0  0  0  0  0999 V2000
    8.9819    2.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9890    0.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4139    0.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4067    2.1061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8927    4.1679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4966    4.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9367    3.0253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7475    0.2803    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5647    1.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7360    2.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8242    5.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7966    5.5178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3564    6.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3112    7.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1024    7.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4004    5.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1951    4.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1265    5.9741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6871    7.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3162    7.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848    6.5423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    7.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6921    6.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    7.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455    5.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    3.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818    6.4916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2568    8.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4353    5.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  1  1  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  5  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 14  1  0  0  0  0
 13 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 13  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  2  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 27 28  3  0  0  0  0
M  END
>  <Mol_ID> (271)
271

>  <Formula> (271)
C24H24N6O2

>  <MolWeight> (271)
428.48636

>  <Cat> (271)
S8541

>  <Name> (271)
FM-381

>  <Synonyms> (271)
N/A

>  <Target> (271)
JAK3

>  <Form> (271)
free base

>  <CAS> (271)
No

>  <URL> (271)
http://www.selleckchem.com/products/fm-381.html

$$$$
GSK3326595 (EPZ015938).cdx
csChFnd80/12261913382D

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 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    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
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 O   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
    7.2746    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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 N   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    3.5000    0.0000 N   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
   12.1244    2.1000    0.0000 N   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
   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  1  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
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  4 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
 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  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  6  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 26 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 27  1  0  0  0  0
M  END
>  <Mol_ID> (272)
272

>  <Formula> (272)
C24H32N6O3

>  <MolWeight> (272)
452.54928

>  <Cat> (272)
S8664

>  <Name> (272)
GSK3326595 (EPZ015938)

>  <Synonyms> (272)
N/A

>  <Target> (272)
PRMT5

>  <Form> (272)
free base

>  <CAS> (272)
1616392-22-3

>  <URL> (272)
http://www.selleckchem.com/products/gsk3326595-epz015938.html

$$$$
S3944 Valproic acid.cdx
csChFnd80/12261913382D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.1078    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7037    2.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    1.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1985    3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8990    4.8416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
M  END
>  <Mol_ID> (273)
273

>  <Formula> (273)
C8H16O2

>  <MolWeight> (273)
144.21144

>  <Cat> (273)
S3944

>  <Name> (273)
Valproic acid

>  <Synonyms> (273)
2-Propylvaleric Acid, Sodium valproate

>  <Target> (273)
HDAC1

>  <Form> (273)
free base

>  <CAS> (273)
99-66-1

>  <URL> (273)
http://www.selleckchem.com/products/valproic-acid.html

$$$$
WT161.cdx
csChFnd80/12261913382D

 34 36  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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    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
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    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
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  8 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19  8  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
>  <Mol_ID> (274)
274

>  <Formula> (274)
C27H30N4O3

>  <MolWeight> (274)
458.5521

>  <Cat> (274)
S8495

>  <Name> (274)
WT161

>  <Synonyms> (274)
N/A

>  <Target> (274)
HDAC1,2,6

>  <Form> (274)
free base

>  <CAS> (274)
1206731-57-8

>  <URL> (274)
http://www.selleckchem.com/products/wt161.html

$$$$
OSS_128167.cdx
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    5.8531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.7077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5525    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 18  1  0  0  0  0
 22 24  1  0  0  0  0
 21 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
M  END
>  <Mol_ID> (275)
275

>  <Formula> (275)
C19H14N2O6

>  <MolWeight> (275)
366.32426

>  <Cat> (275)
S8627

>  <Name> (275)
OSS-128167

>  <Synonyms> (275)
SIRT6-IN-1

>  <Target> (275)
SIRT6,SIRT1,SIRT2

>  <Form> (275)
free base

>  <CAS> (275)
887686-02-4

>  <URL> (275)
http://www.selleckchem.com/products/oss-128167.html

$$$$
LLY-283.cdx
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
    5.5072    9.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    7.8966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    8.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9320    9.9966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   10.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757   10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    9.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    8.1640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    6.8325    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4116    6.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.9999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7431    4.5673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5660    5.6999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2790    4.1770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    4.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4390    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7180    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7043    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1757    3.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9660    5.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196   12.0966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  1  0  0  0
 15 16  1  1  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
 13 23  1  6  0  0  0
 14 24  1  6  0  0  0
  6 25  1  0  0  0  0
M  END
>  <Mol_ID> (276)
276

>  <Formula> (276)
C17H18N4O4

>  <MolWeight> (276)
342.34922

>  <Cat> (276)
S8479

>  <Name> (276)
LLY-283

>  <Synonyms> (276)
N/A

>  <Target> (276)
PRMT5

>  <Form> (276)
free base

>  <CAS> (276)
2040291-27-6

>  <URL> (276)
http://www.selleckchem.com/products/lly-283.html

$$$$
PF-06651600.cdx
csChFnd80/12261913382D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    0.0000    4.9000    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 11 10  1  1  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
 14 17  1  1  0  0  0
 15 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
>  <Mol_ID> (277)
277

>  <Formula> (277)
C15H19N5O

>  <MolWeight> (277)
285.34426

>  <Cat> (277)
S8538

>  <Name> (277)
PF-06651600

>  <Synonyms> (277)
N/A

>  <Target> (277)
JAK3 

>  <Form> (277)
free base

>  <CAS> (277)
1792180-81-4

>  <URL> (277)
http://www.selleckchem.com/products/pf-06651600.html

$$$$
UNC0642.cdx
csChFnd80/12261913382D

 39 43  0  0  0  0  0  0  0  0999 V2000
    5.0373    4.4900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    5.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    4.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5244    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7368    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9492    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0956    0.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4650    0.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1650    1.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2282    2.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    6.5900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    7.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    8.6899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    7.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    6.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1876    8.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.3900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9900    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4101    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  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
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 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
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
  2 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 37  1  0  0  0  0
 37 32  1  0  0  0  0
 35 38  1  0  0  0  0
 35 39  1  0  0  0  0
M  END
>  <Mol_ID> (278)
278

>  <Formula> (278)
C29H44F2N6O2

>  <MolWeight> (278)
546.6954664

>  <Cat> (278)
S7230

>  <Name> (278)
UNC0642

>  <Synonyms> (278)
N/A

>  <Target> (278)
G9a,GLP

>  <Form> (278)
free base

>  <CAS> (278)
1481677-78-4

>  <URL> (278)
http://www.selleckchem.com/products/unc0642.html

$$$$
JQ-EZ-05 (JQEZ5).cdx
csChFnd80/12261913382D

 40 44  0  0  0  0  0  0  0  0999 V2000
    4.8497    4.2000    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
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    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
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.4674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6760    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    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
  2  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 10 14  1  0  0  0  0
 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
 17 19  1  0  0  0  0
 12 20  1  0  0  0  0
  7 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  7  1  0  0  0  0
 23 26  1  0  0  0  0
 20 27  2  0  0  0  0
 20 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 30  2  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
 33 39  1  0  0  0  0
 31 40  2  0  0  0  0
M  END
>  <Mol_ID> (279)
279

>  <Formula> (279)
C30H38N8O2

>  <MolWeight> (279)
542.67512

>  <Cat> (279)
S8607

>  <Name> (279)
JQ-EZ-05 (JQEZ5)

>  <Synonyms> (279)
N/A

>  <Target> (279)
EZH1,EZH2

>  <Form> (279)
free base

>  <CAS> (279)
1913252-04-6

>  <URL> (279)
http://www.selleckchem.com/products/jq-ez-05-jqez5.html

$$$$
INCB39110 (Itacitinib).cdx
csChFnd80/12261913382D

 40 45  0  0  0  0  0  0  0  0999 V2000
    0.0108    2.1093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2070    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529    0.2477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7704    2.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3785    5.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562    6.3488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5562    6.3596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1133    5.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140    6.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    7.7696    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6195    8.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616    8.3066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8187    9.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9758   11.0889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1301    7.9778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0027    6.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3871    7.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8989    8.3944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0263    9.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6419    9.2809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2834    8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1559    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7952    9.9058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6441    6.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5167    5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9011    5.3183    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4130    6.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5404    7.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0049    3.8070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7018    4.3188    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.3080    3.2951    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    2.5039    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.2597    5.9966    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 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 29  1  0  0  0  0
 32 36  1  0  0  0  0
 31 40  1  0  0  0  0
 20 21  3  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
>  <Mol_ID> (280)
280

>  <Formula> (280)
C26H23F4N9O

>  <MolWeight> (280)
553.5141328

>  <Cat> (280)
S7812

>  <Name> (280)
Itacitinib (INCB39110)

>  <Synonyms> (280)
N/A

>  <Target> (280)
JAK

>  <Form> (280)
free base

>  <CAS> (280)
1334298-90-6

>  <URL> (280)
http://selleckchem.com/produ-------------------cts/itacitinib-incb39110.html

$$$$
SNS-314.cdx
csChFnd80/12261913382D

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.1148    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1148    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5397    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7625    2.4623    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8810    0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    4.1951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7437    4.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9519    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2309    4.3233    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1677    5.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4677    6.5761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0983    6.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5552    5.2179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1226    3.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5101    3.7975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026    2.8146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3560    4.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7446    4.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5934    5.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0536    7.1337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650    7.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8162    6.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9771    5.6641    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  2  0  0  0  0
  9  2  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 13  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
M  END
>  <Mol_ID> (281)
281

>  <Formula> (281)
C18H15ClN6OS2

>  <MolWeight> (281)
430.9343

>  <Cat> (281)
S8699

>  <Name> (281)
SNS-314 Mesylate

>  <Synonyms> (281)
N/A

>  <Target> (281)
Aurora Kinase

>  <CAS> (281)
1057249-41-8

>  <URL> (281)
http://selleckchem.com/products/sns-314.html

$$$$
S5284 Adenosine 5'-monophosphate monohydrate.cdx
csChFnd80/12261913382D

 24 25  0  0  0  0  0  0  0  0999 V2000
    6.3849    5.3916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    5.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9662    4.0557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5592    6.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9184    5.1345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719    3.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8047    2.9478    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3717    7.6632    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    7.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1143    5.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    2.2266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0133    1.8154    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2045    2.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1285    7.2438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9178    9.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5372    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4674    0.4911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2545    1.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273    1.1273    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9575    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    2.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0907    5.8283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 15  1  0  0  0  0
 12 17  1  1  0  0  0
 12 13  1  0  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
M  END
>  <Mol_ID> (282)
282

>  <Formula> (282)
C10H16N5O8P

>  <MolWeight> (282)
365.236501

>  <Cat> (282)
S5284

>  <Name> (282)
Adenosine 5'-monophosphate monohydrate

>  <Synonyms> (282)
5'-Adenylic acid, 5'-AMP

>  <Target> (282)
AMPK

>  <Form> (282)
hydrate 

>  <CAS> (282)
18422-05-4

>  <URL> (282)
http://selleckchem.com/products/adenosine-5-monophosphate-monohydrate.html

$$$$
S5243 Ruxolitinib  Phosphate.cdx
csChFnd80/12261913382D

 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> (283)
283

>  <Formula> (283)
C17H21N6O4P

>  <MolWeight> (283)
404.360201

>  <Cat> (283)
S5243

>  <Name> (283)
Ruxolitinib Phosphate

>  <Synonyms> (283)
INCB018424, INC424

>  <Target> (283)
JAK

>  <Form> (283)
phosphate 

>  <CAS> (283)
1092939-17-7

>  <URL> (283)
http://selleckchem.com/products/ruxolitinib-phosphate.html

$$$$
S5438 Biphenyl-4-sulfonyl chloride.cdx
csChFnd80/12261913382D

 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> (284)
284

>  <Formula> (284)
C12H9ClO2S

>  <MolWeight> (284)
252.71666

>  <Cat> (284)
S5438

>  <Name> (284)
Biphenyl-4-sulfonyl chloride

>  <Synonyms> (284)
p-Phenylbenzenesulfonyl chloride, 4-Phenylbenzenesulfonyl chloride, p-Biphenylsulfonyl chloride

>  <Target> (284)
HDAC

>  <Form> (284)
free base

>  <CAS> (284)
1623-93-4

>  <URL> (284)
http://selleckchem.com/products/biphenyl-4-sulfonyl-chloride.html

$$$$
S5445 AMI-1, free acid.cdx
csChFnd80/12261913382D

 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
   10.9117    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (285)
285

>  <Formula> (285)
C21H16N2O9S2

>  <MolWeight> (285)
504.48974

>  <Cat> (285)
S5445

>  <Name> (285)
AMI-1, free acid

>  <Synonyms> (285)
N/A

>  <Target> (285)
Histone Methyltransferase

>  <Form> (285)
free base

>  <CAS> (285)
134-47-4

>  <URL> (285)
http://selleckchem.com/products/ami-1-free-acid.html

$$$$
S3934 Acetyl Resveratrol.cdx
csChFnd80/12261913382D

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6999    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7209    4.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8708    6.3064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1411    5.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2749    5.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1344    4.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8386    2.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    6.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    6.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    1.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    7.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    5.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2555    2.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0457    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7798    6.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5685    4.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8506    8.4504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6404    6.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6365    7.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4260    8.4483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    7.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    6.3459    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  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  2  0  0  0  0
 13 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 20 22  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  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <Mol_ID> (286)
286

>  <Formula> (286)
C20H18O6

>  <MolWeight> (286)
354.35332

>  <Cat> (286)
S3934

>  <Name> (286)
Acetyl Resveratrol

>  <Synonyms> (286)
N/A

>  <Target> (286)
Sirt12

>  <Form> (286)
free base

>  <CAS> (286)
42206-94-0

>  <URL> (286)
http://selleckchem.com/products/.html

$$$$
S9360 4-Hydroxyquinazoline.cdx
csChFnd80/12261913382D

 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
    1.2185    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2185    2.7712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8738    2.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6554    4.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
>  <Mol_ID> (287)
287

>  <Formula> (287)
C8H6N2O

>  <MolWeight> (287)
146.14604

>  <Cat> (287)
S9360

>  <Name> (287)
4-Hydroxyquinazoline

>  <Form> (287)
free base

>  <CAS> (287)
491-36-1

$$$$
Tubastatin A hydrochloride.cdx
csChFnd80/12261913382D

 25 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
    3.6247    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    1.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    4.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2578    5.5903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3904    6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9578    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5578    7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1252    6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516    8.4940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8190    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7557    6.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7598    6.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6966    7.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2640    8.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8946    8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975    9.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 12  1  0  0  0  0
 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 16  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 14  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (288)
288

>  <Formula> (288)
C20H21N3O2

>  <MolWeight> (288)
335.39964

>  <Cat> (288)
S8049

>  <Name> (288)
Tubastatin A

>  <Target> (288)
others

>  <CAS> (288)
1252003-15-8

>  <URL> (288)
https://www.selleckchem.com/products/tubastatin-a.html

$$$$

csChFnd80/12261913382D

 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
    5.6454    7.7618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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> (289)
289

>  <Formula> (289)
C16H20N7O6PS

>  <MolWeight> (289)
469.412061

>  <Cat> (289)
S5754

>  <Name> (289)
Baricitinib phosphate

>  <Synonyms> (289)
INCB-028050 phosphate, LY-3009104 phosphate 

>  <Target> (289)
JAK

>  <Form> (289)
phosphate

>  <CAS> (289)
1187595-84-1

>  <URL> (289)
http://www.selleckchem.com/products/baricitinib-phosphate.html

$$$$

csChFnd80/12261913382D

 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
    1.2124    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    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    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    4.9000    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  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> (290)
290

>  <Formula> (290)
C17H13N3O2

>  <MolWeight> (290)
291.30402

>  <Cat> (290)
S5772

>  <Name> (290)
AS-8351

>  <Synonyms> (290)
N/A

>  <Target> (290)
Histone Demethylase

>  <Form> (290)
Free Base

>  <CAS> (290)
796-42-9

>  <URL> (290)
http://www.selleckchem.com/products/as-8351.html

$$$$

csChFnd80/12261913382D

 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> (291)
291

>  <Formula> (291)
C11H15BrN2O

>  <MolWeight> (291)
271.1536

>  <Cat> (291)
S5810

>  <Name> (291)
UF010

>  <Synonyms> (291)
N/A

>  <Target> (291)
HDAC

>  <Form> (291)
Free Base

>  <CAS> (291)
537672-41-6 

>  <URL> (291)
http://www.selleckchem.com/products/uf010.html

$$$$

csChFnd80/12261913382D

 14 13  0  0  0  0  0  0  0  0999 V2000
   10.9527    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7082    1.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1674    1.3332    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9527    3.4419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4984    2.0543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (292)
292

>  <Formula> (292)
C8H16N2O4

>  <MolWeight> (292)
204.22364

>  <Cat> (292)
S5905

>  <Name> (292)
Suberohydroxamic acid

>  <Synonyms> (292)
suberic bishydroxamic acid

>  <Target> (292)
HDAC

>  <Form> (292)
Free Base

>  <CAS> (292)
38937-66-5

>  <URL> (292)
http://www.selleckchem.com/products/suberohydroxamic-acid.html

$$$$

csChFnd80/12261913382D

 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> (293)
293

>  <Formula> (293)
C21H16N2O2S

>  <MolWeight> (293)
360.42894

>  <Cat> (293)
S5913

>  <Name> (293)
Cambinol

>  <Synonyms> (293)
N/A

>  <Target> (293)
TNF-alpha

>  <Form> (293)
Free Base

>  <CAS> (293)
14513-15-6

>  <URL> (293)
http://www.selleckchem.com/products/cambinol.html

$$$$

csChFnd80/12261913382D

 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> (294)
294

>  <Formula> (294)
C19H21BrN2O3S

>  <MolWeight> (294)
437.35064

>  <Cat> (294)
S5914

>  <Name> (294)
AK 7

>  <Synonyms> (294)
N/A

>  <Target> (294)
Sirtuin

>  <Form> (294)
Free Base

>  <CAS> (294)
420831-40-9

>  <URL> (294)
http://www.selleckchem.com/products/ak-7.html

$$$$

csChFnd80/12261913382D

 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
    7.2524    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5884    2.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0515    4.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    4.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8570    2.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0545    2.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    2.0914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452    0.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.1978    2.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (295)
295

>  <Formula> (295)
C22H26N4O3

>  <MolWeight> (295)
394.46684

>  <Cat> (295)
S5916

>  <Name> (295)
GSK 5959

>  <Synonyms> (295)
N/A

>  <Target> (295)
Epigenetic Reader Do

>  <Form> (295)
Free Base

>  <CAS> (295)
901245-65-6

>  <URL> (295)
http://www.selleckchem.com/products/gsk-5959.html

$$$$

csChFnd80/12261913382D

 30 34  0  0  0  0  0  0  0  0999 V2000
    2.4337    7.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2176    7.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2288    5.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547    5.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6501    5.0955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    5.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8457    7.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    7.8522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1486    5.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9745    6.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1810    7.5609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3744    6.4274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6356    8.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0099    9.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654   10.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5465   11.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1693   11.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    9.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022   12.8565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597    3.9968    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8979    4.4079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2214    3.5857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9906    2.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0008    1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353    0.2937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7798    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7674    0.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3362    2.3406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
  1 10  2  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
 12 14  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 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 18 21  1  0  0  0  0
 11 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 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
 25 30  1  0  0  0  0
M  END
>  <Mol_ID> (296)
296

>  <Formula> (296)
C22H15FN4O2S

>  <MolWeight> (296)
418.4435032

>  <Cat> (296)
S5918

>  <Name> (296)
CAY10602

>  <Synonyms> (296)
N/A

>  <Target> (296)
Sirtuin

>  <Form> (296)
Free Base

>  <CAS> (296)
374922-43-7

>  <URL> (296)
http://www.selleckchem.com/products/cay10602.html

$$$$

csChFnd80/12261913382D

 26 28  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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  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    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
    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
    3.6373    0.0000    0.0000 F   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    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
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    4.4368    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1705    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7781    5.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 S   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
   10.2119    0.1876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6119    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5019    6.1484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8794    7.0852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1093    4.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  3 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15  9  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 15  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 16 25  1  1  0  0  0
  7 26  3  0  0  0  0
M  END
>  <Mol_ID> (297)
297

>  <Formula> (297)
C17H12F3NO4S

>  <MolWeight> (297)
383.3416896

>  <Cat> (297)
S8352

>  <Name> (297)
PT2385

>  <Synonyms> (297)
N/A

>  <Target> (297)
HIF

>  <Form> (297)
Free Base

>  <CAS> (297)
1672665-49-4

>  <URL> (297)
http://www.selleckchem.com/products/pt2385.html

$$$$

csChFnd80/12261913382D

 25 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.8879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    2.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2662    4.8879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    4.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    5.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8993    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6869    7.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    6.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1075    7.6830    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    1.3951    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6628    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4531    1.3951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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
 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
 12 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (298)
298

>  <Formula> (298)
C17H13ClNO5P

>  <MolWeight> (298)
377.715581

>  <Cat> (298)
S8409

>  <Name> (298)
KG-501 (2-naphthol-AS-E-phosphate)

>  <Synonyms> (298)
N/A

>  <Target> (298)
Epigenetic Reader Do

>  <Form> (298)
Free Base

>  <CAS> (298)
18228-17-6

>  <URL> (298)
http://www.selleckchem.com/products/kg-501-2-naphthol-as-e-phosphate.html

$$$$

csChFnd80/12261913382D

 22 26  0  0  0  0  0  0  0  0999 V2000
    2.1544    2.2034    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1544    0.8034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    0.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.3707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6197    3.1401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502    4.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579    4.2728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120    2.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8349    4.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2654    5.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8731    5.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8078    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1516    0.3926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6825    1.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    3.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0812    1.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9  2  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  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> (299)
299

>  <Formula> (299)
C16H15FN4O

>  <MolWeight> (299)
298.3149032

>  <Cat> (299)
S8592

>  <Name> (299)
Pamiparib (BGB-290)

>  <Synonyms> (299)
N/A

>  <Target> (299)
PARP

>  <Form> (299)
Free Base

>  <CAS> (299)
1446261-44-4

>  <URL> (299)
http://www.selleckchem.com/products/bgb-290.html

$$$$

csChFnd80/12261913382D

 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
    8.2166    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0041    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.5480    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.8709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4709    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5709    6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9709    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6709    5.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    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  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> (300)
300

>  <Formula> (300)
C24H18ClN3O3

>  <MolWeight> (300)
431.87102

>  <Cat> (300)
S8654

>  <Name> (300)
ex229 (compound 991)

>  <Synonyms> (300)
N/A

>  <Target> (300)
AMPK

>  <Form> (300)
Free Base

>  <CAS> (300)
1219739-36-2

>  <URL> (300)
http://www.selleckchem.com/products/ex229-compound-991.html

$$$$

csChFnd80/12261913382D

 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
    8.4544    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4544    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
   13.3041   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7290   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
  6 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
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 18  2  0  0  0  0
 23 24  1  0  0  0  0
 21 25  1  0  0  0  0
 19 26  2  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 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
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 37  1  0  0  0  0
M  END
>  <Mol_ID> (301)
301

>  <Formula> (301)
C34H48N4O4

>  <MolWeight> (301)
576.76932

>  <Cat> (301)
S8702

>  <Name> (301)
EBI-2511

>  <Synonyms> (301)
N/A

>  <Target> (301)
EZH1/2

>  <Form> (301)
Free Base

>  <CAS> (301)
2098546-05-3

>  <URL> (301)
http://www.selleckchem.com/products/ebi-2511.html

$$$$

csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    2.4700    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2264    5.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2264    8.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2576    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4700    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8949    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2576    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3198    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3198    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5322    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6095    4.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    3.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5801    2.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090    0.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  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
 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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 17  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  1  0  0  0  0
 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> (302)
302

>  <Formula> (302)
C20H21N3O5S

>  <MolWeight> (302)
415.46284

>  <Cat> (302)
S8714

>  <Name> (302)
INCB057643

>  <Synonyms> (302)
N/A

>  <Target> (302)
Epigenetic Reader Do

>  <Form> (302)
Free Base

>  <CAS> (302)
1820889-23-3

>  <URL> (302)
http://www.selleckchem.com/products/incb057643.html

$$$$

csChFnd80/12261913382D

 36 39  0  0  0  0  0  0  0  0999 V2000
    2.4725    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3222    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7471    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7471    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1098    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5347    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9595    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8974    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2288    5.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2288    8.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6849    9.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0476    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2601    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1517    8.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1517    5.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5517    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2517    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  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> (303)
303

>  <Formula> (303)
C28H30FN3O4

>  <MolWeight> (303)
491.5539032

>  <Cat> (303)
S8723

>  <Name> (303)
ABBV-744

>  <Synonyms> (303)
N/A

>  <Target> (303)
Epigenetic Reader Do

>  <Form> (303)
Free Base

>  <CAS> (303)
2138861-99-9

>  <URL> (303)
http://www.selleckchem.com/products/abbv-744.html

$$$$

csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    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    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
   13.8492    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2492    1.5876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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> (304)
304

>  <Formula> (304)
C18H18FN5O2S

>  <MolWeight> (304)
387.4312232

>  <Cat> (304)
S8727

>  <Name> (304)
Atuveciclib (BAY-1143572)

>  <Synonyms> (304)
N/A

>  <Target> (304)
CDK

>  <Form> (304)
Free Base

>  <CAS> (304)
1414943-88-6

>  <URL> (304)
http://www.selleckchem.com/products/atuveciclib-bay-1143572.html

$$$$

csChFnd80/12261913382D

 26 30  0  0  0  0  0  0  0  0999 V2000
    4.6273    3.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0211    3.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8319    4.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2489    5.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8551    5.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0443    4.4462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6536    4.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3771    2.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5969    2.2256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6033    5.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2765    4.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503    2.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7581    0.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6343    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0597    6.5973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4596    6.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8781    7.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7368    8.7590    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6130    7.9241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2945    5.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7387    4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5736    3.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    3.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5201    4.5258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6852    5.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  1  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
  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
 17 18  2  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
 17 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
M  END
>  <Mol_ID> (305)
305

>  <Formula> (305)
C22H18N4

>  <MolWeight> (305)
338.40512

>  <Cat> (305)
S8749

>  <Name> (305)
MBQ-167

>  <Synonyms> (305)
N/A

>  <Target> (305)
Rho

>  <Form> (305)
Free Base

>  <CAS> (305)
2097938-73-1

>  <URL> (305)
http://www.selleckchem.com/products/mbq-167.html

$$$$

csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 N   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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 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> (306)
306

>  <Formula> (306)
C16H16N4O2

>  <MolWeight> (306)
296.32384

>  <Cat> (306)
S8763

>  <Name> (306)
ZL0420

>  <Synonyms> (306)
N/A

>  <Target> (306)
Epigenetic Reader Do

>  <Form> (306)
Free Base

>  <CAS> (306)
2229039-45-4

>  <URL> (306)
http://www.selleckchem.com/products/zl0420.html

$$$$

csChFnd80/12261913382D

 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
   12.8457    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0582    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8457    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2706    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7214    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9338    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1463    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.5988    4.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  8  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 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> (307)
307

>  <Formula> (307)
C23H32N2O2

>  <MolWeight> (307)
368.51238

>  <Cat> (307)
S8771

>  <Name> (307)
IDF-11774

>  <Synonyms> (307)
N/A

>  <Target> (307)
HIF

>  <Form> (307)
Free Base

>  <CAS> (307)
1429054-28-3

>  <URL> (307)
http://www.selleckchem.com/products/idf-11774.html

$$$$

csChFnd80/12261913382D

 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
    4.8497    2.1000    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
    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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    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
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  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> (308)
308

>  <Formula> (308)
C15H16N2O2

>  <MolWeight> (308)
256.29974

>  <Cat> (308)
S8773

>  <Name> (308)
TH34

>  <Synonyms> (308)
N/A

>  <Target> (308)
HDAC

>  <Form> (308)
Free Base

>  <CAS> (308)
2196203-96-8

>  <URL> (308)
http://www.selleckchem.com/products/th34.html

$$$$

csChFnd80/12261913382D

 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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2165    2.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4331    4.2047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.8579    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0703    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2827    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6791    1.4164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    2.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9298    3.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7207    4.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4934    3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1178    1.4526    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7207    5.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302    6.3518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9302    7.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7159    8.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037    7.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5037    6.3598    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
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  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
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 14  1  0  0  0  0
 17 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
>  <Mol_ID> (309)
309

>  <Formula> (309)
C18H13F2N3O3S

>  <MolWeight> (309)
389.3759264

>  <Cat> (309)
S8776

>  <Name> (309)
WM-1119

>  <Synonyms> (309)
N/A

>  <Target> (309)
Histone Acetyltransf

>  <Form> (309)
Free Base

>  <CAS> (309)
2055397-28-7

>  <URL> (309)
http://www.selleckchem.com/products/wm-1119.html

$$$$

csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
   17.4509    3.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0509    3.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3542    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9542    1.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2509    3.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9476    4.4220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3476    4.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1476    4.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1542    2.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0575    0.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2444    5.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8444    5.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0245    4.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6919    4.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6881    6.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0184    6.7591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4813    4.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    4.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2632    6.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738    7.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0565    4.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8422    4.9098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6316    4.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6354    2.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    2.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0038    0.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2181    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4286    0.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    7.0131    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  2  7  2  0  0  0  0
  1  8  2  0  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 24 27  1  0  0  0  0
 18 21  1  0  0  0  0
 19 33  1  0  0  0  0
 11 12  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
>  <Mol_ID> (310)
310

>  <Formula> (310)
C27H19ClN2O3

>  <MolWeight> (310)
454.90436

>  <Cat> (310)
S8803

>  <Name> (310)
MK-3903

>  <Synonyms> (310)
N/A

>  <Target> (310)
AMPK

>  <Form> (310)
Free Base

>  <CAS> (310)
1219737-12-8

>  <URL> (310)
http://www.selleckchem.com/products/mk-3903.html

$$$$

csChFnd80/12261913382D

 55 61  0  0  0  0  0  0  0  0999 V2000
    2.7179    6.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265    5.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8176    5.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8437    6.3338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7251    7.7455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5669    8.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    8.0865    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375    8.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697    9.9298    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2293   10.3682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    9.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983    9.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2429    4.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071    2.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7468    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162    1.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0457    2.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6123    3.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5352    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3453    6.4741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    4.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    3.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7231   10.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1479   10.5488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3593    9.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722   10.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7844    9.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9969   10.5499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2093    9.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4217   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6341    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4217   11.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8465   10.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0589    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0676    8.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2850    7.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5008    8.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5062    9.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2958   10.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5470   10.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9820   12.0648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6108   11.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6884   12.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9161   10.4952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6820   13.2772    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.0965   13.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7974   14.4826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1140   15.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7048   15.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9968   14.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7965   12.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8140   16.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  5  8  1  6  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 42  1  0  0  0  0
 45 46  2  0  0  0  0
 43 47  2  0  0  0  0
 44 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 48  1  0  0  0  0
 49 54  2  0  0  0  0
 51 55  2  0  0  0  0
M  END
>  <Mol_ID> (311)
311

>  <Formula> (311)
C38H37ClN8O7S

>  <MolWeight> (311)
785.26778

>  <Cat> (311)
S8296

>  <Name> (311)
dBET1

>  <Synonyms> (311)
N/A

>  <Target> (311)
Epigenetic Reader Do

>  <Form> (311)
free base

>  <CAS> (311)
1799711-21-9

>  <URL> (311)
http://www.selleck.cn/products/bet1.html

$$$$

csChFnd80/12261913382D

 59 65  0  0  0  0  0  0  0  0999 V2000
    2.7179    6.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265    5.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8177    5.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8438    6.3339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7252    7.7456    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5669    8.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    8.0866    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    8.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697    9.9300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2294   10.3684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3983    9.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9983    9.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2429    4.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3072    2.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7468    1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1162    1.3358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458    2.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6124    3.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5352    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3453    6.4741    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4917    4.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    3.1440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9376    9.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232   10.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1480   10.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3594    9.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724   10.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7845    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9971   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1118    9.7769    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3243   10.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5367    9.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3243   11.8769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7491   10.4769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9615    9.7769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9702    8.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1876    7.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4034    8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4088    9.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1984   10.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4497   10.7144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8847   11.9918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5134   11.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5910   12.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8188   10.4222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5847   13.2042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.9992   13.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7000   14.4096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.0167   15.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6074   15.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8994   14.4331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6991   11.9877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7167   16.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2095    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4219   10.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6343    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8468   10.5500    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  5  8  1  6  0  0  0
  6  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  7  1  0  0  0  0
 11 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22  2  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
  8 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 42  1  0  0  0  0
 45 46  2  0  0  0  0
 43 47  2  0  0  0  0
 44 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 48  1  0  0  0  0
 49 54  2  0  0  0  0
 51 55  2  0  0  0  0
 31 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 32  1  0  0  0  0
M  END
>  <Mol_ID> (312)
312

>  <Formula> (312)
C42H45ClN8O7S

>  <MolWeight> (312)
841.3741

>  <Cat> (312)
S8762

>  <Name> (312)
dBET6

>  <Synonyms> (312)
N/A

>  <Target> (312)
Epigenetic Reader Do

>  <Form> (312)
free base

>  <CAS> (312)
1950634-92-0

>  <URL> (312)
http://www.selleck.cn/products/dbet6.html

$$$$

csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7772    4.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    5.8899    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7872    6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    6.5899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    5.8899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    5.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    3.7899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    3.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8644    4.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2644    7.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
  6 10  1  0  0  0  0
 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> (313)
313

>  <Formula> (313)
C14H21N5O2S

>  <MolWeight> (313)
323.41384

>  <Cat> (313)
S8765

>  <Name> (313)
PF-04965842

>  <Synonyms> (313)
N/A

>  <Target> (313)
JAK

>  <Form> (313)
free base

>  <CAS> (313)
1622902-68-4

>  <URL> (313)
http://www.selleck.cn/products/pf-04965842.html

$$$$

csChFnd80/12261913382D

  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
  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
  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> (314)
314

>  <Formula> (314)
C5H7N3O

>  <MolWeight> (314)
125.12858

>  <Cat> (314)
S6021

>  <Name> (314)
5-Methylcytosine

>  <Synonyms> (314)
N/A

>  <Target> (314)
Others

>  <Form> (314)
free base

>  <CAS> (314)
554-01-8

>  <URL> (314)
http://www.selleck.cn/products/5-methylcytosine.html

$$$$

csChFnd80/12261913382D

 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
    7.2662    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    4.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9035    6.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911    6.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    4.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0579    5.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2350    6.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    2.0951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    2.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (315)
315

>  <Formula> (315)
C21H19ClNO4+

>  <MolWeight> (315)
384.83286

>  <Cat> (315)
S1292

>  <Name> (315)
Chelerythrine Chloride

>  <Synonyms> (315)
N/A

>  <Target> (315)
PKC

>  <Form> (315)
Chloride

>  <CAS> (315)
3895-92-9

>  <URL> (315)
http://www.selleck.cn/products/Chelerythrine-chloride.html

$$$$

csChFnd80/12261913382D

 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
    4.1953    2.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.1868    4.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1868    6.2833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9613    6.9908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    6.3235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8055    4.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613    8.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7732    9.1159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1894    9.1390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0664   10.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3694    9.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363   11.2433    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.2366    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6154    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8976    0.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8326    1.1654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1329    2.3773    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7639    2.0866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    3.7063    4.9296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  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> (316)
316

>  <Formula> (316)
C18H21F2N7O

>  <MolWeight> (316)
389.4024464

>  <Cat> (316)
S8804

>  <Name> (316)
PF-06700841

>  <Synonyms> (316)
PF-841

>  <Target> (316)
JAK

>  <Form> (316)
Free Base

>  <CAS> (316)
1883299-62-4

>  <URL> (316)
http://www.selleck.cn/products/pf-06700841.html

$$$$

csChFnd80/12261913382D

 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
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    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
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 O   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    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 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
   15.7617    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.8000    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
   12.1244   10.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   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> (317)
317

>  <Formula> (317)
C33H31Cl2N3O5

>  <MolWeight> (317)
620.52234

>  <Cat> (317)
S8846

>  <Name> (317)
compound 3i (666-15)

>  <Synonyms> (317)
N/A

>  <Target> (317)
Epigenetic Reader Do

>  <Form> (317)
Free Base

>  <CAS> (317)
1433286-70-4

>  <URL> (317)
http://www.selleck.cn/products/compound-3i.html

$$$$

csChFnd80/12261913382D

 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
    7.3524    6.4928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4423    7.8474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188    7.5296    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0542    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8499    8.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2194    9.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6520   10.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7152   11.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3458   11.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9132    9.8969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    6.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467    4.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  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> (318)
318

>  <Formula> (318)
C23H21N5O3

>  <MolWeight> (318)
415.44454

>  <Cat> (318)
S2780

>  <Name> (318)
I-BET151 (GSK1210151A)

>  <Synonyms> (318)
N/A

>  <Target> (318)
Epigenetic Reader Do

>  <Form> (318)
Free Base

>  <CAS> (318)
1300031-49-5

>  <URL> (318)
http://www.selleck.cn/products/i-bet151-gsk1210151a.html

$$$$

csChFnd80/12261913382D

 31 35  0  0  0  0  0  0  0  0999 V2000
    2.4207    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    1.1371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    1.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8455    3.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6331    3.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2620    3.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    3.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    3.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8951    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6826    6.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4702    5.3346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    5.3322    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    6.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5282    7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3157    8.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1033    7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6068    3.9628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9992    3.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5686    5.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6967    2.6082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0919    2.6082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    3.8165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7894    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 17  2  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 19  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <Mol_ID> (319)
319

>  <Formula> (319)
C23H18N6O2

>  <MolWeight> (319)
410.42802

>  <Cat> (319)
S7137

>  <Name> (319)
GLPG0634 analogue

>  <Synonyms> (319)
N/A

>  <Target> (319)
JAK

>  <Form> (319)
Free Base

>  <CAS> (319)
1206101-20-3

>  <URL> (319)
http://www.selleck.cn/products/glpg0634.html

$$$$

csChFnd80/12261913382D

 40 44  0  0  0  0  0  0  0  0999 V2000
    3.1335    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9791    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    8.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    9.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8330    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6206    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454    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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  2  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
  3 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  2  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 13 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 13  1  0  0  0  0
 30 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 39  1  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
>  <Mol_ID> (320)
320

>  <Formula> (320)
C31H39N7O2

>  <MolWeight> (320)
541.68706

>  <Cat> (320)
S7164

>  <Name> (320)
GSK343

>  <Synonyms> (320)
N/A

>  <Target> (320)
Histone Methyltransf

>  <Form> (320)
Free Base

>  <CAS> (320)
1346704-33-3

>  <URL> (320)
http://www.selleck.cn/products/gsk343.html

$$$$

csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    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
    3.4653    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    9.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7715   10.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2673    7.7142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0693    6.0917    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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  6  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 15  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (321)
321

>  <Formula> (321)
C19H18N4O3

>  <MolWeight> (321)
350.37122

>  <Cat> (321)
S8684

>  <Name> (321)
Selective JAK3 inhibitor 1

>  <Synonyms> (321)
N/A

>  <Target> (321)
JAK

>  <Form> (321)
Free Base

>  <CAS> (321)
1443235-95-7

>  <URL> (321)
http://www.selleck.cn/products/selective-jak3-inhibitor-1.html

$$$$

csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.4282    8.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.0989    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    8.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    7.4989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845    8.6316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    8.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    9.9630    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6804   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866   10.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9233    9.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2928    9.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7254   10.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7886   11.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192   11.5856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6172    5.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1130    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4824    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4192    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9866    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9150    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9782    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844    0.7493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694   10.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    8.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098   11.2281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    6.9601    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
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  7 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 19  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 10 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 10  1  0  0  0  0
 28 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
>  <Mol_ID> (322)
322

>  <Formula> (322)
C26H22N4O3

>  <MolWeight> (322)
438.47788

>  <Cat> (322)
S8739

>  <Name> (322)
PLX51107

>  <Synonyms> (322)
N/A

>  <Target> (322)
Epigenetic Reader Do

>  <Form> (322)
Free Base

>  <CAS> (322)
1627929-55-8

>  <URL> (322)
http://www.selleck.cn/products/plx51107.html

$$$$

csChFnd80/12261913382D

 26 30  0  0  0  0  0  0  0  0999 V2000
    0.0000    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6544    0.0000 C   0  0  1  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
    4.8497    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    7.6572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    7.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8105    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5739    8.8142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  7  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  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
 13 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 17  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  1  0  0  0  0
 22 16  1  0  0  0  0
 18 24  1  0  0  0  0
 21 25  1  0  0  0  0
 23 26  2  0  0  0  0
M  END
>  <Mol_ID> (323)
323

>  <Formula> (323)
C19H16N4O3

>  <MolWeight> (323)
348.35534

>  <Cat> (323)
S8753

>  <Name> (323)
INCB054329£¨INCB-054329,INCB-54329£©

>  <Synonyms> (323)
N/A

>  <Target> (323)
Epigenetic Reader Do

>  <Form> (323)
Free Base

>  <CAS> (323)
1628607-64-6

>  <URL> (323)
http://www.selleck.cn/products/incb054329.html

$$$$

csChFnd80/12261913382D

 27 28  0  0  0  0  0  0  0  0999 V2000
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    3.7674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3937    6.0326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8263    7.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6166    4.9000    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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 Cl  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
    3.6373    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.3166    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7166    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4166    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8166    7.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5166    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9166    8.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6166    7.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6166    9.7497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0166    9.7497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 11 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  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <Mol_ID> (324)
324

>  <Formula> (324)
C19H28Cl2N4O2

>  <MolWeight> (324)
415.35722

>  <Cat> (324)
S8769

>  <Name> (324)
Tinostamustine(EDO-S101)

>  <Synonyms> (324)
N/A

>  <Target> (324)
HDAC

>  <Form> (324)
Free Base

>  <CAS> (324)
1236199-60-2

>  <URL> (324)
http://www.selleck.cn/products/tinostamustine.html

$$$$

csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
    5.4213    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    3.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    4.1903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    6.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    7.6854    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.2879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0049    5.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0149    6.5802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    5.9446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9865    4.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3693    4.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6338    2.0951    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    1.3951    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0544    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    1.3927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    2.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    3.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2669    4.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0544    3.4927    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6875    4.1903    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.8462    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
  1  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  0  0  0  0
  3 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 20 23  1  0  0  0  0
 16 24  1  6  0  0  0
M  END
>  <Mol_ID> (325)
325

>  <Formula> (325)
C14H14ClFN8

>  <MolWeight> (325)
348.7659632

>  <Cat> (325)
S2162

>  <Name> (325)
AZD1480

>  <Synonyms> (325)
N/A

>  <Target> (325)
JAK

>  <Form> (325)
free base

>  <CAS> (325)
935666-88-9

>  <URL> (325)
http://www.selleck.cn/products/AZD1480.html

$$$$

csChFnd80/12261913382D

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.9031    2.9884    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6314    0.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8511    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2695    2.1930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2377    0.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4203    1.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2078    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    9.6887    2.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 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> (326)
326

>  <Formula> (326)
C13H13NO3S

>  <MolWeight> (326)
263.31222

>  <Cat> (326)
S6497

>  <Name> (326)
SMI-16a

>  <Synonyms> (326)
N/A

>  <Target> (326)
Pim

>  <Form> (326)
free base

>  <CAS> (326)
587852-28-6

>  <URL> (326)
http://www.selleck.cn/products/smi-16a.html

$$$$

csChFnd80/12261913382D

 21 23  0  0  0  0  0  0  0  0999 V2000
    4.9000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    0.0000    0.0000 N   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
    7.0000    1.2124    0.0000 N   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
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000    4.8497    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
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2000    3.6373    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  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
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 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> (327)
327

>  <Formula> (327)
C16H15N3O2

>  <MolWeight> (327)
281.3092

>  <Cat> (327)
S6521

>  <Name> (327)
WHI-P258

>  <Synonyms> (327)
N/A

>  <Target> (327)
JAK

>  <Form> (327)
free base

>  <CAS> (327)
21561-09-1

>  <URL> (327)
http://www.selleck.cn/products/whi-p258.html

$$$$

csChFnd80/12261913382D

 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
    4.8677    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.1677    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0677    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1677    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5050    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7174    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    5.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9299    3.9622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7174    3.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5050    3.9622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4428    4.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2273    3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2390    6.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5677    7.2746    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
  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> (328)
328

>  <Formula> (328)
C23H24N2O

>  <MolWeight> (328)
344.44946

>  <Cat> (328)
S6524

>  <Name> (328)
NSC 42834

>  <Synonyms> (328)
JAK2 Inhibitor V

>  <Target> (328)
JAK

>  <Form> (328)
free base

>  <CAS> (328)
195371-52-9

>  <URL> (328)
http://www.selleck.cn/products/nsc-42834.html

$$$$

csChFnd80/12261913382D

 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
    5.8531    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.4048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.6958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.2124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1904    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8904    1.2124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1028    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    6.9748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9277    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2277    3.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7735    5.6538    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
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
 15  4  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 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> (329)
329

>  <Formula> (329)
C18H23ClN4O

>  <MolWeight> (329)
346.85442

>  <Cat> (329)
S8438

>  <Name> (329)
T-3775440 HCl

>  <Synonyms> (329)
N/A

>  <Target> (329)
Histone Demethylase

>  <Form> (329)
HCl

>  <CAS> (329)
1422535-52-1

>  <URL> (329)
http://www.selleck.cn/products/t-3775440-hcl.html

$$$$

csChFnd80/12261913382D

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 O   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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 O   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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
  8 29  1  0  0  0  0
M  END
>  <Mol_ID> (330)
330

>  <Formula> (330)
C21H24N4O4

>  <MolWeight> (330)
396.43966

>  <Cat> (330)
S8743

>  <Name> (330)
SKLB-23bb

>  <Synonyms> (330)
N/A

>  <Target> (330)
HDAC

>  <Form> (330)
free base

>  <CAS> (330)
1815580-06-3

>  <URL> (330)
http://www.selleck.cn/products/sklb-23bb.html

$$$$
WAY-312666
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.7828   -0.1552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5448   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2448   -0.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0828    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828   -1.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5207   -0.3931    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3621   -1.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    1.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8621    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5621   -1.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000   -0.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4000    0.6552    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8793   -0.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828   -0.9069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2000    0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9552   -0.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8793    0.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -0.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5793    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2552    1.0724    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9172    1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000    0.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.7621    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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
  7  9  1  0  0  0  0
 12 14  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (331)
331

>  <Formula> (331)
C18H17Cl2N3O4S

>  <MolWeight> (331)
442.31628

>  <Cat> (331)
P3594

>  <Name> (331)
WAY-312666

>  <Synonyms> (331)
N/A

>  <Target> (331)
SIRT3

>  <Form> (331)
free base

>  <CAS> (331)
472980-46-4

>  <URL> (331)
N/A

$$$$
WAY-311318
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.6241    0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    0.3586    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1379    0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6276    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0966   -0.2310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345   -0.2310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1379    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4069    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    0.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4172   -0.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6448    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1586    0.3552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9172    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9276   -0.2241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621    1.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690    0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4276    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9379   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6724    1.2379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    1.5517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9448    2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345   -2.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586   -2.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483   -2.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -3.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 19 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
  9 13  2  0  0  0  0
 16 21  2  0  0  0  0
 20 23  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (332)
332

>  <Formula> (332)
C26H24N2O3

>  <MolWeight> (332)
412.48036

>  <Cat> (332)
P3591

>  <Name> (332)
WAY-311318

>  <Synonyms> (332)
N/A

>  <Target> (332)
HIF prolyl hydroxylasem,IN-LEDGF/p75 inter

>  <Form> (332)
free base

>  <CAS> (332)
333314-79-7

>  <URL> (332)
N/A

$$$$
WAY-312461
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0759   -0.0172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7931    0.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6414    0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0724   -0.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5103   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7931    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448    1.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -0.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5034   -0.8483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    1.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    1.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6517   -2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -0.8345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2241    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9310   -0.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    1.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655    2.4690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3655   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -2.4862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345    1.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7931    1.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0793    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -3.3034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0552   -3.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483    1.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5069    1.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -3.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 13 19  2  0  0  0  0
 13 20  1  0  0  0  0
 15 21  2  0  0  0  0
 15 22  1  0  0  0  0
 17 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 29  1  0  0  0  0
 25 30  1  0  0  0  0
 27 31  2  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
 24 29  2  0  0  0  0
 28 31  1  0  0  0  0
M  END
>  <Mol_ID> (333)
333

>  <Formula> (333)
C25H22N2O4

>  <MolWeight> (333)
414.45318

>  <Cat> (333)
P3593

>  <Name> (333)
WAY-312461

>  <Synonyms> (333)
N/A

>  <Target> (333)
Wnt/b-catenin, KDM4 histone demethylases a

>  <Form> (333)
free base

>  <CAS> (333)
420827-50-5

>  <URL> (333)
N/A

$$$$
WAY-311581
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.0034   -0.3414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7517   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1483   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1517    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5379   -1.6897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    1.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138   -0.3414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6483   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6379    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1310   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4172   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4069    0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310   -0.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7966   -0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5483   -0.3414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7138    1.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9172    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3138    1.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5276    0.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 28 30  1  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 19 22  1  0  0  0  0
 27 29  1  0  0  0  0
M  END
>  <Mol_ID> (334)
334

>  <Formula> (334)
C23H25N3O4

>  <MolWeight> (334)
407.4623

>  <Cat> (334)
P3592

>  <Name> (334)
WAY-311581

>  <Synonyms> (334)
N/A

>  <Target> (334)
SIRT3

>  <Form> (334)
free base

>  <CAS> (334)
332125-86-7

>  <URL> (334)
N/A

$$$$
WAY-310766
csChFnd80/12261913382D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.3793    0.2345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8586   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4414   -1.1655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0103    1.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2655    0.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2690   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -1.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.0828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310    1.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5690    2.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9310   -2.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586    2.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3897    2.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.4897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3931   -1.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3207   -0.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7310    0.2241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  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
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 18 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6  7  1  0  0  0  0
 13 18  1  0  0  0  0
 17 22  1  0  0  0  0
M  END
>  <Mol_ID> (335)
335

>  <Formula> (335)
C17H28N6O2

>  <MolWeight> (335)
348.44322

>  <Cat> (335)
P3590

>  <Name> (335)
WAY-310766

>  <Synonyms> (335)
N/A

>  <Target> (335)
PKC¦Â,PARP-1

>  <Form> (335)
free base

>  <CAS> (335)
442864-84-8

>  <URL> (335)
N/A

$$$$
WAY-118959-A
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.3967    0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6717    0.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967    0.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1467    0.6386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842   -0.6781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4717   -0.5156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783    0.3886    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6366    0.9886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5842    1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158    1.7219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4467    0.3594    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509    1.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4533    0.9094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3634    1.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8509   -1.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4491   -1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2991   -0.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6283   -1.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366   -0.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7783   -2.1114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16  6  1  0  0  0  0
 17 21  1  0  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
  3  5  2  0  0  0  0
 14 11  1  0  0  0  0
  8 10  1  0  0  0  0
 20 17  2  0  0  0  0
M  END
>  <Mol_ID> (336)
336

>  <Formula> (336)
C16H14N4OS2

>  <MolWeight> (336)
342.43856

>  <Cat> (336)
P3545

>  <Name> (336)
WAY-118959-A

>  <Synonyms> (336)
N/A

>  <Target> (336)
others

>  <Form> (336)
free base

>  <CAS> (336)
315703-81-2

>  <URL> (336)
N/A

$$$$
WAY-249486
csChFnd80/12261913382D

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1657    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8347    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1761   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1657    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1550   -0.7513    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8174    1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8136   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    2.1004    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -0.1789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1446   -1.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -0.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -1.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343    0.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1343   -1.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 10  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <Mol_ID> (337)
337

>  <Formula> (337)
C13H11ClN2O2S

>  <MolWeight> (337)
294.75664

>  <Cat> (337)
P3548

>  <Name> (337)
WAY-249486

>  <Synonyms> (337)
N/A

>  <Target> (337)
HDAC

>  <Form> (337)
free base

>  <CAS> (337)
119730-10-8

>  <URL> (337)
N/A

$$$$
WAY-296712
csChFnd80/12261913382D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.7623   -0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036   -0.2343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1036    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7416   -0.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623   -1.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7623    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1036    0.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0795   -0.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2205    0.8830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757   -0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1964    0.3209    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
  3  7  1  0  0  0  0
  4  8  2  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
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 11  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
>  <Mol_ID> (338)
338

>  <Formula> (338)
C12H10N2O2

>  <MolWeight> (338)
214.22

>  <Cat> (338)
P3560

>  <Name> (338)
WAY-296712

>  <Synonyms> (338)
N/A

>  <Target> (338)
histone deacetylase

>  <Form> (338)
free base

>  <CAS> (338)
88530-99-8

>  <URL> (338)
N/A

$$$$
WAY-297285
csChFnd80/12261913382D

 26 28  0  0  0  0  0  0  0  0999 V2000
    0.0759   -0.9414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5724   -1.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -0.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6103   -1.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2103   -1.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724   -0.6034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724   -1.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7276    0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2276   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2724   -2.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3103   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241   -2.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    1.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    1.0759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4448   -2.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7103   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4034    1.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    2.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9897    2.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552    2.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0276    2.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552    3.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2759    3.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 12  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  1  0  0  0  0
 15 19  1  0  0  0  0
 16 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  2  0  0  0  0
 23 26  1  0  0  0  0
  9 13  1  0  0  0  0
 18 19  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (339)
339

>  <Formula> (339)
C19H23N3O3S

>  <MolWeight> (339)
373.46922

>  <Cat> (339)
P3561

>  <Name> (339)
WAY-297285

>  <Synonyms> (339)
N/A

>  <Target> (339)
others

>  <Form> (339)
free base

>  <CAS> (339)
314043-73-7

>  <URL> (339)
N/A

$$$$
WAY-297357
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -2.4054   -0.3340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502   -0.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1606   -0.6029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054    0.4729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0502   -0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7606   -1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6468    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1951    0.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0502   -1.8960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4433    0.1384    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5261    1.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3532   -0.2926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502   -1.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7778    0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3158    1.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532   -1.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532   -0.7133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7532    0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532   -0.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    0.9040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532    0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532   -0.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    1.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532    0.9040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8429   -1.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1532    2.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532    1.7143    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
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 11 15  2  0  0  0  0
 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
 18 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
  7  8  2  0  0  0  0
 10 14  1  0  0  0  0
 15 16  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
>  <Mol_ID> (340)
340

>  <Formula> (340)
C22H19N3O5

>  <MolWeight> (340)
405.40336

>  <Cat> (340)
P3562

>  <Name> (340)
WAY-297357

>  <Synonyms> (340)
N/A

>  <Target> (340)
SIRT1

>  <Form> (340)
free base

>  <CAS> (340)
312943-99-0

>  <URL> (340)
N/A

$$$$
CL-406156
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
   -1.8312    1.0047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2268    1.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4900    1.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2760    0.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920    3.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5188   -0.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898   -1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8265    0.9700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.7707    0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1966    3.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0137   -2.3013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798   -3.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1578    1.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8117   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2359    2.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9843   -3.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4891    0.9403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8155    1.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4693   -0.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1418    0.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7907   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  2  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
  5  7  1  0  0  0  0
 11 16  2  0  0  0  0
 13 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
>  <Mol_ID> (341)
341

>  <Formula> (341)
C19H22N2O2

>  <MolWeight> (341)
310.39018

>  <Cat> (341)
P3540

>  <Name> (341)
CL-406156

>  <Synonyms> (341)
N/A

>  <Target> (341)
DNA Methyltransferase 1

>  <Form> (341)
free base

>  <CAS> (341)
91324-16-2

>  <URL> (341)
N/A

$$$$
WAY-234636
csChFnd80/12261913382D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -1.3757   -0.0655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -1.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5239    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -1.6552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239   -1.0759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7446   -1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1136    0.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3071   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653   -2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7653   -1.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1343    0.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2554    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4757   -0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0450   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4657    1.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0243   -0.0759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4450    1.6034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    0.9448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    1.2862    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0071    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (342)
342

>  <Formula> (342)
C16H12N4O2

>  <MolWeight> (342)
292.29208

>  <Cat> (342)
P3547

>  <Name> (342)
WAY-234636

>  <Synonyms> (342)
N/A

>  <Target> (342)
Androgen Receptor

>  <Form> (342)
free base

>  <CAS> (342)
55589-09-8

>  <URL> (342)
N/A

$$$$
WAY-298378
csChFnd80/12261913382D

 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
    1.0686   -1.3174    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9970   -0.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4755   -0.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341   -0.8312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    1.9617    0.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901   -0.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4349    0.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7824    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2176    0.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1237   -0.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686    1.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (343)
343

>  <Formula> (343)
C12H12N2O3S

>  <MolWeight> (343)
264.30028

>  <Cat> (343)
P3563

>  <Name> (343)
WAY-298378

>  <Synonyms> (343)
N/A

>  <Target> (343)
AMPK

>  <Form> (343)
free base

>  <CAS> (343)
335398-80-6

>  <URL> (343)
N/A

$$$$
WAY-298477
csChFnd80/12261913382D

 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
    8.7403    7.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7201    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512    8.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9549    7.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9024    6.8535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0801    6.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5788    8.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3647    7.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    8.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1513    6.2094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3383    6.8078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1574    7.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4213    8.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    7.0322    8.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6109    8.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   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> (344)
344

>  <Formula> (344)
C23H22N4O5

>  <MolWeight> (344)
434.44458

>  <Cat> (344)
P3564

>  <Name> (344)
WAY-298477

>  <Synonyms> (344)
N/A

>  <Target> (344)
PKC-b II and PKB dual 

>  <Form> (344)
free base

>  <CAS> (344)
1353673-63-8

>  <URL> (344)
N/A

$$$$
WAY-298851
csChFnd80/12261913382D

 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
    1.0200   -1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.2303   -2.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -3.8386   -0.1456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2303   -3.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8249    2.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131   -4.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 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> (345)
345

>  <Formula> (345)
C15H9ClO3

>  <MolWeight> (345)
272.68316

>  <Cat> (345)
P3565

>  <Name> (345)
WAY-298851

>  <Synonyms> (345)
N/A

>  <Target> (345)
Pim-1,Anti-infection

>  <Form> (345)
free base

>  <CAS> (345)
53391-72-3

>  <URL> (345)
N/A

$$$$
WAY-299178
csChFnd80/12261913382D

 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
    1.1828   -1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3034    0.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    1.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -1.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7241    0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034   -1.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9034    0.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8448   -1.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0448   -2.0690    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  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
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
  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> (346)
346

>  <Formula> (346)
C18H19N3O

>  <MolWeight> (346)
293.36296

>  <Cat> (346)
P3566

>  <Name> (346)
WAY-299178

>  <Synonyms> (346)
N/A

>  <Target> (346)
HDAC

>  <Form> (346)
free base

>  <CAS> (346)
1031349-21-9

>  <URL> (346)
N/A

$$$$
WAY-299510
csChFnd80/12261913382D

 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
   -0.1862   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9862    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862   -0.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3862    0.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    0.1483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1862    0.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138   -0.5517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2586    0.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138    0.1276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6828    0.4276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8138   -0.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2138   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (347)
347

>  <Formula> (347)
C16H17N5O2

>  <MolWeight> (347)
311.33848

>  <Cat> (347)
P3567

>  <Name> (347)
WAY-299510

>  <Synonyms> (347)
N/A

>  <Target> (347)
Anti-infection,STAT3

>  <Form> (347)
free base

>  <CAS> (347)
1007998-55-1

>  <URL> (347)
N/A

$$$$
WAY-325090
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.8420    0.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420    0.3263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9705   -0.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4038    0.1679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1545    0.8221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3705   -0.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1878    1.4429    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8753    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0663   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413   -0.3737    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753    0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670   -0.3737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5753   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1795    0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8830    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795    0.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1712   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7795   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872    0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6247   -1.1529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4003   -0.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2872   -0.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455   -0.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (348)
348

>  <Formula> (348)
C19H15N3O2S2

>  <MolWeight> (348)
381.4713

>  <Cat> (348)
P3617

>  <Name> (348)
WAY-325090

>  <Synonyms> (348)
N/A

>  <Target> (348)
microRNA

>  <Form> (348)
free base

>  <CAS> (348)
1008280-11-2

>  <URL> (348)
N/A

$$$$
CL-414715
csChFnd80/12261913382D

 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
    3.2621    2.4518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1768    1.1904    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -1.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5931    1.3324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1169   -1.4702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4427    3.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353   -2.6523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1500   -1.9673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    1.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321   -4.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9196    2.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9405   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733    2.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    4.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4942    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627    1.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2627    4.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  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> (349)
349

>  <Formula> (349)
C15H15N3O4

>  <MolWeight> (349)
301.2973

>  <Cat> (349)
P3541

>  <Name> (349)
CL-414715

>  <Synonyms> (349)
N/A

>  <Target> (349)
EZH2

>  <Form> (349)
free base

>  <CAS> (349)
107392-68-7

>  <URL> (349)
N/A

$$$$
CL-418030
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.0426   -1.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426   -2.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -1.4690   -1.6825    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4701   -2.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7553   -2.9227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7571   -1.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585   -2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4710   -2.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576   -0.4447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0443   -0.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7557    1.2007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    0.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750   -0.0386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7531    2.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0373    2.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4663    2.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6728    2.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3880    2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6730    3.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0394    3.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (350)
350

>  <Formula> (350)
C19H20N4OS

>  <MolWeight> (350)
352.4533

>  <Cat> (350)
P3542

>  <Name> (350)
CL-418030

>  <Synonyms> (350)
N/A

>  <Target> (350)
MLL protein and menin interaction,P2Y12 re

>  <Form> (350)
free base

>  <CAS> (350)
1093748-54-9

>  <URL> (350)
N/A

$$$$
GI-558744
csChFnd80/12261913382D

 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
    2.8239   -0.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6653    1.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5757    1.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7550   -1.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9826    0.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -0.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 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  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (351)
351

>  <Formula> (351)
C14H9NO3

>  <MolWeight> (351)
239.22616

>  <Cat> (351)
P3543

>  <Name> (351)
GI-558744

>  <Synonyms> (351)
N/A

>  <Target> (351)
HIF PHD,Anti-infection

>  <Form> (351)
free base

>  <CAS> (351)
1164452-80-5

>  <URL> (351)
N/A

$$$$
WAY-223539
csChFnd80/12261913382D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.5686    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    1.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5583   -0.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    1.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4141    1.2020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4245    2.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5479    0.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5652   -1.6532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445   -0.5221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5824   -2.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5410    0.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935   -1.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -0.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1486   -1.0876    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
  5 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6  9  2  0  0  0  0
 18 19  2  0  0  0  0
M  END
>  <Mol_ID> (352)
352

>  <Formula> (352)
C14H15NO4

>  <MolWeight> (352)
261.2732

>  <Cat> (352)
P3546

>  <Name> (352)
WAY-223539

>  <Synonyms> (352)
N/A

>  <Target> (352)
BRD4

>  <Form> (352)
free base

>  <CAS> (352)
13729-79-8

>  <URL> (352)
N/A

$$$$
WAY-299582
csChFnd80/12261913382D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    0.4278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1722   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4795    1.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -1.0791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722    0.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274    1.1795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    0.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1278    1.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4722   -0.7067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -1.8308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7795    1.1795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1757   -2.2067    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
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
  8 12  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
>  <Mol_ID> (353)
353

>  <Formula> (353)
C8H12FN5O

>  <MolWeight> (353)
213.2121832

>  <Cat> (353)
P3568

>  <Name> (353)
WAY-299582

>  <Synonyms> (353)
N/A

>  <Target> (353)
KDM5A

>  <Form> (353)
free base

>  <CAS> (353)
118121-89-4

>  <URL> (353)
N/A

$$$$
WAY-299727
csChFnd80/12261913382D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.0583  -19.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8583  -18.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833  -19.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7083  -20.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833  -19.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5083  -20.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1750  -20.3042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792  -18.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542  -20.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792  -18.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0875  -19.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458  -19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500  -19.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292  -21.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0125  -18.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917  -20.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9333  -17.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417  -18.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417  -18.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167  -19.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833  -18.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250  -20.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8125  -18.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1083  -19.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0333  -20.1917    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  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8 10  1  0  0  0  0
  9 12  1  0  0  0  0
 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
 16 11  2  0  0  0  0
 17  2  1  0  0  0  0
 18 20  2  0  0  0  0
 19 15  2  0  0  0  0
 20 16  1  0  0  0  0
 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
 25 22  2  0  0  0  0
  5  6  2  0  0  0  0
 24 25  1  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (354)
354

>  <Formula> (354)
C18H15N3O3S

>  <MolWeight> (354)
353.395

>  <Cat> (354)
P3569

>  <Name> (354)
WAY-299727

>  <Synonyms> (354)
N/A

>  <Target> (354)
histone deacetylase

>  <Form> (354)
free base

>  <CAS> (354)
332169-78-5

>  <URL> (354)
N/A

$$$$
WAY-299788
csChFnd80/12261913382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.3690   -0.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3690    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -0.3617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345    0.5176    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    0.6142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4517    0.0763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3103   -0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862   -0.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276   -0.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    0.3452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8276    1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9931    0.0314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724    0.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8310    0.4245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7345   -0.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -0.0651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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
  6 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
 11 15  2  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
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
  5  7  2  0  0  0  0
  9 11  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <Mol_ID> (355)
355

>  <Formula> (355)
C12H18N6O2

>  <MolWeight> (355)
278.31032

>  <Cat> (355)
P3570

>  <Name> (355)
WAY-299788

>  <Synonyms> (355)
N/A

>  <Target> (355)
PARP

>  <Form> (355)
free base

>  <CAS> (355)
50693-74-8

>  <URL> (355)
N/A

$$$$
WAY-299838
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8176    1.3238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8314    1.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    0.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797    1.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8694    1.3514    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7970   -0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2375    1.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8728    0.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8832    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2237    0.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9142   -0.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9176    1.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2479   -0.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9280    0.1963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720    0.0963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2306   -1.6658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996   -0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2824   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168    0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3030   -2.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3444   -0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3272   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3479   -2.2969    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  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
 22 23  1  0  0  0  0
  7 10  2  0  0  0  0
 12 14  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (356)
356

>  <Formula> (356)
C18H19IN2O2

>  <MolWeight> (356)
422.26013

>  <Cat> (356)
P3571

>  <Name> (356)
WAY-299838

>  <Synonyms> (356)
N/A

>  <Target> (356)
HIF-1 

>  <Form> (356)
free base

>  <CAS> (356)
333357-56-5

>  <URL> (356)
N/A

$$$$
WAY-300386
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.6724   -0.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5931   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9931    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6931    0.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4138   -2.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8724   -2.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7345   -1.0793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3724    1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552    2.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1931   -1.7379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -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
    0.9655   -2.4793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862    0.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    4.7448    2.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8448    0.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9069    1.4793    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
  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
 12 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 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
  6  7  1  0  0  0  0
  9 11  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (357)
357

>  <Formula> (357)
C18H19N3O

>  <MolWeight> (357)
293.36296

>  <Cat> (357)
P3572

>  <Name> (357)
WAY-300386

>  <Synonyms> (357)
N/A

>  <Target> (357)
HDAC8,matrix metalloprotease,Anti-infectio

>  <Form> (357)
free base

>  <CAS> (357)
125009-81-6

>  <URL> (357)
N/A

$$$$
WAY-300488
csChFnd80/12261913382D

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.0341   -0.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5141   -0.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511   -0.6073    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7281   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3311   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0281   -1.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1749    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3749    0.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4749    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749    1.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (358)
358

>  <Formula> (358)
C11H12N2S

>  <MolWeight> (358)
204.29138

>  <Cat> (358)
P3573

>  <Name> (358)
WAY-300488

>  <Synonyms> (358)
N/A

>  <Target> (358)
Sirtuin,Nrf2,glucokinase,antiviral

>  <Form> (358)
free base

>  <CAS> (358)
299953-94-9

>  <URL> (358)
N/A

$$$$
WAY-300662
csChFnd80/12261913382D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.7583    0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2342   -0.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1687    0.9551    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6687   -0.3829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5997    0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -1.0756   -1.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1520    0.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5963   -0.3311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5204    1.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    0.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2238    0.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1859    0.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3244    0.2344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7175   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4658   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3658   -1.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8175    0.2861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8658   -1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5658    0.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    0.9240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6175   -0.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658   -0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0141   -1.6173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  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  1  0  0  0  0
  9 14  1  0  0  0  0
 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
 19 22  1  0  0  0  0
 21 23  1  0  0  0  0
 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> (359)
359

>  <Formula> (359)
C20H12Cl2N2O2S

>  <MolWeight> (359)
415.29248

>  <Cat> (359)
P3574

>  <Name> (359)
WAY-300662

>  <Synonyms> (359)
N/A

>  <Target> (359)
Aurora Kinase

>  <Form> (359)
free base

>  <CAS> (359)
327051-69-4

>  <URL> (359)
N/A

$$$$
WAY-300856
csChFnd80/12261913382D

 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
    0.0034   -0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    1.6931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1069    1.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034    1.4517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    0.1310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7966   -0.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5931   -1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5172    1.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828   -0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0069   -1.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -1.8276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2414   -1.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4276   -2.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1621   -2.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034   -0.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5862    2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8207   -2.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6621   -1.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9966    1.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5828   -2.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  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
 19 23  2  0  0  0  0
 20 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  2  0  0  0  0
 24 27  2  0  0  0  0
  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> (360)
360

>  <Formula> (360)
C22H19N3OS

>  <MolWeight> (360)
373.47076

>  <Cat> (360)
P3575

>  <Name> (360)
WAY-300856

>  <Synonyms> (360)
N/A

>  <Target> (360)
Sirtuin,NRF2,p97

>  <Form> (360)
free base

>  <CAS> (360)
129544-85-0

>  <URL> (360)
N/A

$$$$
WAY-389228
csChFnd80/12261913382D

 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
    5.9542   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   -5.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -0.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.9500   -3.9417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9417   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9875  -10.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9417   -3.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9542    1.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9667   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   -0.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0042  -12.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -5.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -12.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0167  -14.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0125  -14.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -5.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  7  9  1  0  0  0  0
  8  1  1  0  0  0  0
  9 10  1  0  0  0  0
 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> (361)
361

>  <Formula> (361)
C18H18N2O3

>  <MolWeight> (361)
310.34712

>  <Cat> (361)
P3638

>  <Name> (361)
WAY-389228

>  <Synonyms> (361)
N/A

>  <Target> (361)
others

>  <Form> (361)
free base

>  <CAS> (361)
300860-39-3

>  <URL> (361)
N/A

$$$$
WAY-389891
csChFnd80/12261913382D

 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
   13.6375   -8.2792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4167   -4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5875   -7.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2167  -10.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3500  -11.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3875   -5.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6042   -3.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7542   -9.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0167  -11.9375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.9625   -8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542  -12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1292  -12.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000  -11.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1000   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6750   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0167   -4.9750    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  1  0  0  0  0
  5  3  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9 10  1  0  0  0  0
 10  8  1  0  0  0  0
 11  2  2  0  0  0  0
 12  3  2  0  0  0  0
 13  6  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  1  0  0  0  0
 16  8  2  0  0  0  0
 17  5  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 10  1  0  0  0  0
 21 22  2  0  0  0  0
 22 14  1  0  0  0  0
 23 13  2  0  0  0  0
 24 15  2  0  0  0  0
 25 15  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  1  0  0  0  0
 28 24  1  0  0  0  0
 29 25  2  0  0  0  0
 30 29  1  0  0  0  0
  5  4  1  0  0  0  0
 28 30  2  0  0  0  0
 23 21  1  0  0  0  0
M  END
>  <Mol_ID> (362)
362

>  <Formula> (362)
C22H23ClFN3O3

>  <MolWeight> (362)
431.8877232

>  <Cat> (362)
P3639

>  <Name> (362)
WAY-389891

>  <Synonyms> (362)
N/A

>  <Target> (362)
Rtt109

>  <Form> (362)
free base

>  <CAS> (362)
327091-55-4

>  <URL> (362)
N/A

$$$$
WAY-302914
csChFnd80/12261913382D

 27 30  0  0  0  0  0  0  0  0999 V2000
    0.2034    0.3172    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8276   -0.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4966    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    1.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7897   -0.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4931    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9690    0.6345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6931   -0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8310    1.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828   -0.9069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7138   -1.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8724    1.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6690   -2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3828   -0.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2172    0.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2828    1.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3034   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069   -1.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310    1.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9690   -2.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3724    1.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 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
 16 19  2  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 19 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
 24 27  2  0  0  0  0
  7  9  1  0  0  0  0
 11 14  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  1  0  0  0  0
M  END
>  <Mol_ID> (363)
363

>  <Formula> (363)
C22H25N3O2

>  <MolWeight> (363)
363.4528

>  <Cat> (363)
P3576

>  <Name> (363)
WAY-302914

>  <Synonyms> (363)
N/A

>  <Target> (363)
others

>  <Form> (363)
free base

>  <CAS> (363)
313378-68-6

>  <URL> (363)
N/A

$$$$
WAY-303376
csChFnd80/12261913382D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -1.2931   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2931    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.5103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759   -0.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6759    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759    0.1897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4931    0.1897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931    0.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0931   -0.5552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4759    0.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4517    0.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6862   -0.5931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3241    0.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0862   -0.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862   -0.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7241    0.7897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5483    0.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8483   -0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3241    0.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069   -0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6862   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  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
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28 30  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
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (364)
364

>  <Formula> (364)
C23H23N5O2

>  <MolWeight> (364)
401.46102

>  <Cat> (364)
P3577

>  <Name> (364)
WAY-303376

>  <Synonyms> (364)
N/A

>  <Target> (364)
EZH2

>  <Form> (364)
free base

>  <CAS> (364)
500270-56-4

>  <URL> (364)
N/A

$$$$
WAY-303382
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.2034   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   -1.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -0.1759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2828   -0.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -1.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655    0.4448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5828   -1.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414   -1.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    0.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034    1.1069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5172    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    1.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8793    1.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    0.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2345    1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  5  9  2  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
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 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
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 23 25  1  0  0  0  0
  7  9  1  0  0  0  0
  8 11  1  0  0  0  0
 19 20  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (365)
365

>  <Formula> (365)
C19H21N5O

>  <MolWeight> (365)
335.40294

>  <Cat> (365)
P3578

>  <Name> (365)
WAY-303382

>  <Synonyms> (365)
N/A

>  <Target> (365)
STAT

>  <Form> (365)
free base

>  <CAS> (365)
487035-73-4

>  <URL> (365)
N/A

$$$$
WAY-303388
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -1.2125    1.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8125    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.8500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    1.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4125    2.1958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125    1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333    2.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7708    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0958    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 11  1  0  0  0  0
 15  7  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 13  1  0  0  0  0
 20 17  1  0  0  0  0
 21 19  2  0  0  0  0
 22 18  2  0  0  0  0
  8  7  1  0  0  0  0
 12 13  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (366)
366

>  <Formula> (366)
C14H12N4O4

>  <MolWeight> (366)
300.26948

>  <Cat> (366)
P3579

>  <Name> (366)
WAY-303388

>  <Synonyms> (366)
N/A

>  <Target> (366)
EZH2

>  <Form> (366)
free base

>  <CAS> (366)
499210-92-3

>  <URL> (366)
N/A

$$$$
WAY-304388
csChFnd80/12261913382D

 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
   -0.2466   -1.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326    0.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2516   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7296   -0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3494    2.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8304    2.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.3524    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8744    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076    1.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126   -1.3522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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
 18 16  1  0  0  0  0
 21 17  2  0  0  0  0
 18 19  2  0  0  0  0
 19 21  1  0  0  0  0
 21 20  1  0  0  0  0
 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> (367)
367

>  <Formula> (367)
C21H17N3O

>  <MolWeight> (367)
327.37918

>  <Cat> (367)
P3580

>  <Name> (367)
WAY-304388

>  <Synonyms> (367)
N/A

>  <Target> (367)
sirtuin,histone acetyl transferase

>  <Form> (367)
free base

>  <CAS> (367)
305357-89-5

>  <URL> (367)
N/A

$$$$
WAY-304405
csChFnd80/12261913382D

 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
    0.7483   -0.1517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    0.0414   -0.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4552   -0.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0276   -1.2759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4724    1.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4621    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2897   -1.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0138   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8379    1.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -2.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1414   -2.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  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> (368)
368

>  <Formula> (368)
C19H19NO2

>  <MolWeight> (368)
293.35966

>  <Cat> (368)
P3581

>  <Name> (368)
WAY-304405

>  <Synonyms> (368)
N/A

>  <Target> (368)
STAT,Plasmodium falciparum Equilibrative N

>  <Form> (368)
free base

>  <CAS> (368)
1351505-59-3

>  <URL> (368)
N/A

$$$$
WAY-304544
csChFnd80/12261913382D

 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
    1.2897   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517   -0.5276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    0.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759    1.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1655   -1.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9138    1.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7034   -2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3759   -2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4586    1.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (369)
369

>  <Formula> (369)
C15H16N2O3

>  <MolWeight> (369)
272.29914

>  <Cat> (369)
P3582

>  <Name> (369)
WAY-304544

>  <Synonyms> (369)
N/A

>  <Target> (369)
sirtuin

>  <Form> (369)
free base

>  <CAS> (369)
347362-65-6

>  <URL> (369)
N/A

$$$$
WAY-304671
csChFnd80/12261913382D

 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
   -1.0857    0.4070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409    1.0277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4995   -0.3033    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    0.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029   -0.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374    1.0415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9788   -0.6102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029    0.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7271   -0.2585    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
  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> (370)
370

>  <Formula> (370)
C16H9ClN2OS2

>  <MolWeight> (370)
344.83846

>  <Cat> (370)
P3583

>  <Name> (370)
WAY-304671

>  <Synonyms> (370)
N/A

>  <Target> (370)
SMYD3

>  <Form> (370)
free base

>  <CAS> (370)
330837-95-1

>  <URL> (370)
N/A

$$$$
WAY-305238
csChFnd80/12261913382D

 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
   -2.3552    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5276    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4414   -1.3483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -0.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.3552   -1.8483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655   -1.3483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3862    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759   -1.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1759    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103   -0.2483    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3069    1.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -0.8379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7586    0.6621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6586   -1.2069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2103    1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1241   -1.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552   -0.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8586   -0.3862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  2  0  0  0  0
  8 14  1  0  0  0  0
 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
 19 23  1  0  0  0  0
 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> (371)
371

>  <Formula> (371)
C18H19N3O4S

>  <MolWeight> (371)
373.42616

>  <Cat> (371)
P3584

>  <Name> (371)
WAY-305238

>  <Synonyms> (371)
N/A

>  <Target> (371)
parp1

>  <Form> (371)
free base

>  <CAS> (371)
442648-52-4

>  <URL> (371)
N/A

$$$$
WAY-305341
csChFnd80/12261913382D

 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
   -4.6584   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    1.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860   -0.3276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3619    0.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8274   -0.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8895    2.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    0.5379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -0.8586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   -0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3761    1.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2381    0.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4140    0.9552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2726    0.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4485    0.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9623   -1.0793    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  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
 12 14  2  0  0  0  0
 12 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
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
  7  9  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
>  <Mol_ID> (372)
372

>  <Formula> (372)
C15H15N3O3S

>  <MolWeight> (372)
317.3629

>  <Cat> (372)
P3585

>  <Name> (372)
WAY-305341

>  <Synonyms> (372)
N/A

>  <Target> (372)
HDAC

>  <Form> (372)
free base

>  <CAS> (372)
353781-42-7

>  <URL> (372)
N/A

$$$$
WAY-383515
csChFnd80/12261913382D

 23 26  0  0  0  0  0  0  0  0999 V2000
    1.1151   -0.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1676   -1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4703    0.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634   -1.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0780   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5228   -2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8220    0.6274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634    1.5102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2117   -1.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7082   -2.8691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3883   -0.4105    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7228    1.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -3.2657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4393    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3324   -1.7898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    0.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1366   -1.6898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7021   -0.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7496    1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8986    1.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9400    1.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883    3.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9400    2.6826    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
  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
 11 18  2  0  0  0  0
 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> (373)
373

>  <Formula> (373)
C17H18N2O3S

>  <MolWeight> (373)
330.40142

>  <Cat> (373)
P3636

>  <Name> (373)
WAY-383515

>  <Synonyms> (373)
N/A

>  <Target> (373)
BRD4

>  <Form> (373)
free base

>  <CAS> (373)
304685-40-3

>  <URL> (373)
N/A

$$$$
WAY-305857
csChFnd80/12261913382D

 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
    0.4278    1.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1826    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929    2.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5554    2.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8826   -0.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929   -0.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7826    1.4967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929    3.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -1.0758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933    2.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7826   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4929   -2.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -2.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8623   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2243    3.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0860   -0.7654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0899   -3.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -1.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    2.8656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5140   -3.1585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -4.1965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  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
 12 17  1  0  0  0  0
 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> (374)
374

>  <Formula> (374)
C15H24N6O2

>  <MolWeight> (374)
320.39006

>  <Cat> (374)
P3586

>  <Name> (374)
WAY-305857

>  <Synonyms> (374)
N/A

>  <Target> (374)
PKC¦Â, PARP-1 

>  <Form> (374)
free base

>  <CAS> (374)
313471-52-2

>  <URL> (374)
N/A

$$$$
WAY-324197
csChFnd80/12261913382D

 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
    4.1375   -6.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4167   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -6.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1667   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -6.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1167   -5.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6500   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -8.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -5.2667    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  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 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
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 13  2  0  0  0  0
 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> (375)
375

>  <Formula> (375)
C21H22N2O

>  <MolWeight> (375)
318.41218

>  <Cat> (375)
P3613

>  <Name> (375)
WAY-324197

>  <Synonyms> (375)
N/A

>  <Target> (375)
SIRT2

>  <Form> (375)
free base

>  <CAS> (375)
1005095-06-6

>  <URL> (375)
N/A

$$$$
WAY-385602
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.4042   -5.0417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9250   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9167   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -4.6292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -5.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2292   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6625   -6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -3.5792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667   -6.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292   -6.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -5.7417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2417   -6.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -6.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -5.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917   -7.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -5.0167    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -6.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000   -8.1167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1500   -7.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9625   -5.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1792   -4.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9667   -7.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3792   -6.4250    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  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
 21 17  1  0  0  0  0
 22 16  2  0  0  0  0
 23 19  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 18  1  0  0  0  0
 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> (376)
376

>  <Formula> (376)
C20H19ClFN3O3

>  <MolWeight> (376)
403.8345632

>  <Cat> (376)
P3637

>  <Name> (376)
WAY-385602

>  <Synonyms> (376)
N/A

>  <Target> (376)
fungal histone acetyltransferase Rtt109

>  <Form> (376)
free base

>  <CAS> (376)
722478-59-3

>  <URL> (376)
N/A

$$$$
WL-164379
csChFnd80/12261913382D

 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
   -2.1144   -3.8258    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7497   -4.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1330   -1.2463    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7993   -0.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1533   -2.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1386   -3.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1758   -1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -2.5112    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5151   -1.0169    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743   -1.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4182   -1.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871    0.3224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1871   -2.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7249    0.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4813    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5185   -0.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191    1.7114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6877    3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0563   -0.9487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7683   -2.3190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8066    0.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6736    4.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7852   -3.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  2  0  0  0  0
  6  9  2  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  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  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> (377)
377

>  <Formula> (377)
C19H21N3OS2

>  <MolWeight> (377)
371.51954

>  <Cat> (377)
P3676

>  <Name> (377)
WL-164379

>  <Synonyms> (377)
N/A

>  <Target> (377)
STAT3

>  <Form> (377)
free base

>  <CAS> (377)
311762-65-9

>  <URL> (377)
N/A

$$$$
WAY-308264
csChFnd80/12261913382D

 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
    0.2207    0.0276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9414    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1103   -0.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0897    0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6310   -0.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4897    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483   -0.2414    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0414   -0.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6310    0.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8310    0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6207    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0897   -0.5517    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3793   -0.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    0.0586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3207   -0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    0.2793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  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> (378)
378

>  <Formula> (378)
C14H14N4O2S

>  <MolWeight> (378)
302.35156

>  <Cat> (378)
P3587

>  <Name> (378)
WAY-308264

>  <Synonyms> (378)
N/A

>  <Target> (378)
histone acetyltransferase

>  <Form> (378)
free base

>  <CAS> (378)
364624-08-8

>  <URL> (378)
N/A

$$$$
WAY-309060
csChFnd80/12261913382D

 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
    0.1895   -0.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239   -0.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3864    2.2418    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8929    3.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9550   -1.7065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -1.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7274   -0.2651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7140    1.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1998   -2.9720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5274   -1.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7312   -0.2755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209    1.7832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4343   -4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209   -0.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1278    0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7485    0.5211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  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
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 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> (379)
379

>  <Formula> (379)
C13H14N2O4

>  <MolWeight> (379)
262.26126

>  <Cat> (379)
P3588

>  <Name> (379)
WAY-309060

>  <Synonyms> (379)
N/A

>  <Target> (379)
BRD4

>  <Form> (379)
free base

>  <CAS> (379)
309951-18-6

>  <URL> (379)
N/A

$$$$
WAY-309229-A
csChFnd80/12261913382D

 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
   -0.0103    0.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -0.5897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4310   -1.8276    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -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
   -2.7414   -0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7103   -1.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8517   -1.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7069    1.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138    0.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4172    2.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    1.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8483    2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  9 13  1  0  0  0  0
 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> (380)
380

>  <Formula> (380)
C14H13N3OS

>  <MolWeight> (380)
271.33752

>  <Cat> (380)
P3589

>  <Name> (380)
WAY-309229-A

>  <Synonyms> (380)
N/A

>  <Target> (380)
EGFR

>  <Form> (380)
free base

>  <CAS> (380)
799800-65-0

>  <URL> (380)
N/A

$$$$
WAY-352571
csChFnd80/12261913382D

 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
  -13.9792    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  -12.9000    6.7542    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7792    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6250   -3.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8417   -1.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    4.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0000    6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9042   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    2.0542   -0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -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
 23 18  1  0  0  0  0
 24 25  1  0  0  0  0
 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> (381)
381

>  <Formula> (381)
C19H17N3O4S2

>  <MolWeight> (381)
415.48598

>  <Cat> (381)
P3628

>  <Name> (381)
WAY-352571

>  <Synonyms> (381)
N/A

>  <Target> (381)
DNA methyltransferase 3A,hsp90

>  <Form> (381)
free base

>  <CAS> (381)
505054-90-0

>  <URL> (381)
N/A

$$$$
WAY-353519
csChFnd80/12261913382D

 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
    9.1167  -10.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5250  -11.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7042   -9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7917   -9.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2125   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2667   -8.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -7.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -9.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -8.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417  -10.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -8.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -7.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -9.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5375   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  2  2  0  0  0  0
  4  7  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11 12  1  0  0  0  0
 12  8  2  0  0  0  0
 13  1  2  0  0  0  0
 14  1  2  0  0  0  0
 15  7  2  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21  9  2  0  0  0  0
 22 10  2  0  0  0  0
 23 17  1  0  0  0  0
 24 16  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 11 19  2  0  0  0  0
 27 28  1  0  0  0  0
  9 10  1  0  0  0  0
 26 25  2  0  0  0  0
M  END
>  <Mol_ID> (382)
382

>  <Formula> (382)
C20H21N3O3S2

>  <MolWeight> (382)
415.52904

>  <Cat> (382)
P3629

>  <Name> (382)
WAY-353519

>  <Synonyms> (382)
N/A

>  <Target> (382)
sirtuin

>  <Form> (382)
free base

>  <CAS> (382)
690247-68-8

>  <URL> (382)
N/A

$$$$
WAY-354574
csChFnd80/12261913382D

 27 29  0  0  0  0  0  0  0  0999 V2000
   10.8750   -9.8750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.3417   -9.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0167   -8.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8500   -6.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3417   -8.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000  -10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7167  -11.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0125   -5.4667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9917   -8.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -2.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6375   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250   -4.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4375    0.0750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.6292  -10.0792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3375   -7.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792   -6.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0542   -5.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0417   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0375   -4.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6500   -6.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2625   -9.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2667   -6.7000    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  8  1  0  0  0  0
  5  3  2  0  0  0  0
  6  1  2  0  0  0  0
  7  1  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  4  2  0  0  0  0
 11  9  1  0  0  0  0
 12 14  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16  2  1  0  0  0  0
 17  2  1  0  0  0  0
 18  3  1  0  0  0  0
 19 20  1  0  0  0  0
 20 18  2  0  0  0  0
 21 23  2  0  0  0  0
 22 21  1  0  0  0  0
 23 14  1  0  0  0  0
 24 17  1  0  0  0  0
 25 16  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
  8 19  2  0  0  0  0
 26 27  1  0  0  0  0
 22 13  2  0  0  0  0
M  END
>  <Mol_ID> (383)
383

>  <Formula> (383)
C20H23ClN2O3S

>  <MolWeight> (383)
406.92622

>  <Cat> (383)
P3630

>  <Name> (383)
WAY-354574

>  <Synonyms> (383)
N/A

>  <Target> (383)
SIRT2

>  <Form> (383)
free base

>  <CAS> (383)
851873-40-0

>  <URL> (383)
N/A

$$$$
WAY-354875
csChFnd80/12261913382D

 25 29  0  0  0  0  0  0  0  0999 V2000
    6.7667   -7.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8542   -6.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5167   -7.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9667   -7.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5500   -6.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -6.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0667   -7.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6542   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -6.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -7.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4250   -6.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6917   -8.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1375   -9.0917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4417   -8.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5500   -9.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3667   -9.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7167   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -8.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2875   -7.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -8.6500    0.0000 F   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  4  2  0  0  0  0
  6  2  1  0  0  0  0
  7  3  2  0  0  0  0
  8  2  2  0  0  0  0
  9  5  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  3  1  0  0  0  0
 13  9  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  2  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 21 16  1  0  0  0  0
 22 24  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  2  0  0  0  0
 25 22  1  0  0  0  0
  7  8  1  0  0  0  0
  6  5  1  0  0  0  0
 18 19  2  0  0  0  0
 14 11  2  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (384)
384

>  <Formula> (384)
C17H9FN4O2S

>  <MolWeight> (384)
352.3423632

>  <Cat> (384)
P3631

>  <Name> (384)
WAY-354875

>  <Synonyms> (384)
N/A

>  <Target> (384)
SIRT1

>  <Form> (384)
free base

>  <CAS> (384)
720672-18-4

>  <URL> (384)
N/A

$$$$
WAY-358008
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
    3.0994   -1.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0994   -0.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580   -1.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8994   -1.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3580    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132   -0.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6270   -1.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3925   -0.7541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5925   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8718    0.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -0.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    0.1011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3247   -0.2989    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    0.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0316    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8006   -0.3196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7661    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2902    1.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5213    0.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7764    2.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5454    1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2971   -0.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 23  3  0  0  0  0
 20 24  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (385)
385

>  <Formula> (385)
C17H15N3O3S

>  <MolWeight> (385)
341.3843

>  <Cat> (385)
P3632

>  <Name> (385)
WAY-358008

>  <Synonyms> (385)
N/A

>  <Target> (385)
microRNA

>  <Form> (385)
free base

>  <CAS> (385)
303018-40-8

>  <URL> (385)
N/A

$$$$
WAY-359061
csChFnd80/12261913382D

 20 21  0  0  0  0  0  0  0  0999 V2000
    5.4542  -10.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542  -10.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6292  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -10.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -9.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7542  -10.1042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042   -8.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1042   -8.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0042  -12.0500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542  -12.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8792  -12.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5042  -13.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792  -12.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7542  -13.3500    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 10  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  3  1  0  0  0  0
 11  2  2  0  0  0  0
 12 11  1  0  0  0  0
 13  3  2  0  0  0  0
 14  7  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 12  9  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
>  <Mol_ID> (386)
386

>  <Formula> (386)
C15H13ClN2OS

>  <MolWeight> (386)
304.79452

>  <Cat> (386)
P3633

>  <Name> (386)
WAY-359061

>  <Synonyms> (386)
N/A

>  <Target> (386)
microRNA

>  <Form> (386)
free base

>  <CAS> (386)
307509-59-7

>  <URL> (386)
N/A

$$$$
WAY-380064-A
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    4.7042   -2.5292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1375   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4292   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2667   -2.5292    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.0208   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8375   -2.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500   -1.2875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4000   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.7042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5500   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8500   -1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5667   -1.7000    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  7  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 20  1  0  0  0  0
 12  9  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 11  2  0  0  0  0
 16 11  1  0  0  0  0
 17  8  1  0  0  0  0
 18  8  1  0  0  0  0
 19  2  1  0  0  0  0
 20 10  1  0  0  0  0
 21  4  1  0  0  0  0
 22 19  2  0  0  0  0
 23 21  2  0  0  0  0
  4  2  2  0  0  0  0
 22 23  1  0  0  0  0
 13  9  2  0  0  0  0
M  END
>  <Mol_ID> (387)
387

>  <Formula> (387)
C19H22ClNO2

>  <MolWeight> (387)
331.83648

>  <Cat> (387)
P3634

>  <Name> (387)
WAY-380064-A

>  <Synonyms> (387)
N/A

>  <Target> (387)
PRMT5

>  <Form> (387)
free base

>  <CAS> (387)
380192-76-7

>  <URL> (387)
N/A

$$$$
WAY-382052
csChFnd80/12261913382D

 20 21  0  0  0  0  0  0  0  0999 V2000
    8.7375   -7.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3125   -8.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4292   -8.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   -6.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -7.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9917   -9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917   -9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6500   -8.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7750   -8.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0625   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0500   -6.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4375  -10.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3375   -9.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3292   -7.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9375   -8.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292   -6.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4417   -9.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4375   -7.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3750   -7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -8.1667    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  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  1  0  0  0  0
 13  9  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  2  0  0  0  0
 16 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  2  0  0  0  0
 19 16  2  0  0  0  0
 20 18  1  0  0  0  0
 19 15  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
>  <Mol_ID> (388)
388

>  <Formula> (388)
C17H18N2O

>  <MolWeight> (388)
266.33762

>  <Cat> (388)
P3635

>  <Name> (388)
WAY-382052

>  <Synonyms> (388)
N/A

>  <Target> (388)
microRNA

>  <Form> (388)
free base

>  <CAS> (388)
536713-36-7

>  <URL> (388)
N/A

$$$$
WAY-616361
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
   -0.9958   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -2.1667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.9292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7125   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -3.4042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    1.1333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    2.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4333   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -2.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4250   -0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1458    3.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    2.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -2.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1375   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    4.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    3.6083    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 14  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10 13  2  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13 15  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  2  0  0  0  0
  5  3  2  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
M  END
>  <Mol_ID> (389)
389

>  <Formula> (389)
C17H16N4O2

>  <MolWeight> (389)
308.33454

>  <Cat> (389)
P3654

>  <Name> (389)
WAY-616361

>  <Synonyms> (389)
N/A

>  <Target> (389)
ARTD3,PARP-1

>  <Form> (389)
free base

>  <CAS> (389)
730949-09-4

>  <URL> (389)
N/A

$$$$
WL-231219
csChFnd80/12261913382D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -1.2908   -0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    0.1006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804   -1.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801   -0.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0801    0.3614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -0.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5708   -0.3112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5804    1.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -1.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5611    0.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2715    0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9819    0.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2852    1.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  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
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  END
>  <Mol_ID> (390)
390

>  <Formula> (390)
C10H12N4O2

>  <MolWeight> (390)
220.22788

>  <Cat> (390)
P3677

>  <Name> (390)
WL-231219

>  <Synonyms> (390)
N/A

>  <Target> (390)
HDAC

>  <Form> (390)
free base

>  <CAS> (390)
842955-63-9

>  <URL> (390)
N/A

$$$$
WAY-623944
csChFnd80/12261913382D

 31 35  0  0  0  0  0  0  0  0999 V2000
    1.3792   -4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    3.7083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2917   -3.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583    2.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0708    3.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -3.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -5.0917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -2.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6375   -2.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208    1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7125   -5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5167   -5.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    0.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6000    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4542   -2.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3000    4.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    3.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0583    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8583    5.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    3.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    2.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0  0  0  0
  3  1  2  0  0  0  0
  4 15  1  0  0  0  0
  5 14  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
 10  6  1  0  0  0  0
 11  1  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 24  2  0  0  0  0
 15 20  2  0  0  0  0
 16 26  1  0  0  0  0
 17  6  1  0  0  0  0
 18 11  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 13  2  0  0  0  0
 22 16  2  0  0  0  0
 23 13  1  0  0  0  0
 24 20  1  0  0  0  0
 25  2  1  0  0  0  0
 26 23  1  0  0  0  0
 27  8  1  0  0  0  0
 28  9  1  0  0  0  0
 29 25  1  0  0  0  0
 30 31  1  0  0  0  0
 31 28  2  0  0  0  0
 18 17  2  0  0  0  0
 10  7  2  0  0  0  0
  5  4  2  0  0  0  0
  8  2  1  0  0  0  0
 30 27  2  0  0  0  0
M  END
>  <Mol_ID> (391)
391

>  <Formula> (391)
C23H20N4O3S

>  <MolWeight> (391)
432.4949

>  <Cat> (391)
P3657

>  <Name> (391)
WAY-623944

>  <Synonyms> (391)
N/A

>  <Target> (391)
microRNA

>  <Form> (391)
free base

>  <CAS> (391)
438599-31-6

>  <URL> (391)
N/A

$$$$
WAY-643116
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.5083    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -0.0167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -1.6667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -2.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292    1.2208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500    2.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -2.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083    3.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6292   -3.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    3.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167   -4.1417    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  5  1  0  0  0  0
  5  3  2  0  0  0  0
  6  2  1  0  0  0  0
  7  1  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12 10  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 11  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 15  2  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  2  0  0  0  0
  6  4  2  0  0  0  0
 23 19  2  0  0  0  0
 24 21  1  0  0  0  0
M  END
>  <Mol_ID> (392)
392

>  <Formula> (392)
C18H20N6

>  <MolWeight> (392)
320.3916

>  <Cat> (392)
P3669

>  <Name> (392)
WAY-643116

>  <Synonyms> (392)
N/A

>  <Target> (392)
microRNA

>  <Form> (392)
free base

>  <CAS> (392)
850020-01-8

>  <URL> (392)
N/A

$$$$
WAY-334681-A
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.3500   -4.1792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -3.7667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3500   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -4.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -5.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6375   -5.4167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -3.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9167   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1875   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2042   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -4.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9000   -2.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7750   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -2.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2417   -3.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0500   -2.5250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0042   -1.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5292   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6125   -2.5292    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  2  2  0  0  0  0
  6  4  2  0  0  0  0
  7  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 15  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 15  9  1  0  0  0  0
 16 17  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19  9  2  0  0  0  0
 20 16  1  0  0  0  0
 21 23  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 24 22  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
 16 18  2  0  0  0  0
 21 12  1  0  0  0  0
M  END
>  <Mol_ID> (393)
393

>  <Formula> (393)
C17H15N5OS

>  <MolWeight> (393)
337.3989

>  <Cat> (393)
P3620

>  <Name> (393)
WAY-334681-A

>  <Synonyms> (393)
N/A

>  <Target> (393)
STAT3

>  <Form> (393)
free base

>  <CAS> (393)
736950-05-3

>  <URL> (393)
N/A

$$$$
WAY-334725
csChFnd80/12261913382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.4750   -4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -3.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -4.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0875   -3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -2.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7500   -2.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -5.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -6.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -3.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292   -5.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -2.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2042   -1.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125   -4.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6125   -0.5667    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  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  9  5  2  0  0  0  0
 10  3  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  2  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 18  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 13  1  0  0  0  0
 20 16  1  0  0  0  0
  8  9  1  0  0  0  0
  7  6  1  0  0  0  0
 19 17  2  0  0  0  0
M  END
>  <Mol_ID> (394)
394

>  <Formula> (394)
C16H18N2O2

>  <MolWeight> (394)
270.32632

>  <Cat> (394)
P3621

>  <Name> (394)
WAY-334725

>  <Synonyms> (394)
N/A

>  <Target> (394)
microRNA

>  <Form> (394)
free base

>  <CAS> (394)
742116-35-4

>  <URL> (394)
N/A

$$$$
WAY-625138
csChFnd80/12261913382D

 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
   -0.4458   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -2.3625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5708   -1.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -2.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4458   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    2.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    2.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -3.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -1.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -0.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667   -2.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5875   -3.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3083   -2.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792   -3.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9542    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    3.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    4.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2792    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    4.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  2  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  2  2  0  0  0  0
  8  2  1  0  0  0  0
  9 10  2  0  0  0  0
 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
 16  3  1  0  0  0  0
 17  3  1  0  0  0  0
 18 13  1  0  0  0  0
 19  7  1  0  0  0  0
 20 11  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 14 22  1  0  0  0  0
 18 15  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (395)
395

>  <Formula> (395)
C21H30N2O5S

>  <MolWeight> (395)
422.5383

>  <Cat> (395)
P3658

>  <Name> (395)
WAY-625138

>  <Synonyms> (395)
N/A

>  <Target> (395)
microRNA

>  <Form> (395)
free base

>  <CAS> (395)
756865-61-9

>  <URL> (395)
N/A

$$$$
WAY-273429
csChFnd80/12261913382D

 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
   -3.7958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    5.1875    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.0625    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 17  2  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
  8  5  1  0  0  0  0
 10  6  1  0  0  0  0
 16 12  1  0  0  0  0
M  END
>  <Mol_ID> (396)
396

>  <Formula> (396)
C11H8BrN5

>  <MolWeight> (396)
290.11872

>  <Cat> (396)
P3557

>  <Name> (396)
WAY-273429

>  <Synonyms> (396)
N/A

>  <Target> (396)
AMPK

>  <Form> (396)
free base

>  <CAS> (396)
525607-71-0

>  <URL> (396)
N/A

$$$$
WAY-273431
csChFnd80/12261913382D

 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
   -3.7958    2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    1.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    2.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    1.4375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958    3.6875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4458    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1958    3.6833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1500    4.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8500    4.8125    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  7  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
  8  5  1  0  0  0  0
 10  6  1  0  0  0  0
 17 13  2  0  0  0  0
M  END
>  <Mol_ID> (397)
397

>  <Formula> (397)
C11H8FN5

>  <MolWeight> (397)
229.2131232

>  <Cat> (397)
P3558

>  <Name> (397)
WAY-273431

>  <Synonyms> (397)
N/A

>  <Target> (397)
AMPK

>  <Form> (397)
free base

>  <CAS> (397)
525608-36-0

>  <URL> (397)
N/A

$$$$
WAY-277306
csChFnd80/12261913382D

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.2684    0.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4649    1.2413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524    0.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0601   -1.0629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5434   -0.3879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0476    0.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1316    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399   -1.2379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1649   -0.0004    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976    1.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1524   -0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3226   -1.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8899    2.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0649    2.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9441    1.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4441    3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1351   -2.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5024    2.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2566    2.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3976   -2.7879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434   -3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8476   -3.4129    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  4  1  0  0  0  0
  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  3  2  0  0  0  0
 11  2  1  0  0  0  0
 12  9  2  0  0  0  0
 13  5  1  0  0  0  0
 14  8  2  0  0  0  0
 15 11  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  2  0  0  0  0
 19 13  1  0  0  0  0
 20 16  2  0  0  0  0
 21 20  1  0  0  0  0
 22 18  1  0  0  0  0
 23 19  2  0  0  0  0
 24 23  1  0  0  0  0
  5  6  1  0  0  0  0
 10 12  1  0  0  0  0
 15 14  1  0  0  0  0
 22 24  2  0  0  0  0
 17 21  2  0  0  0  0
M  END
>  <Mol_ID> (398)
398

>  <Formula> (398)
C19H15N5

>  <MolWeight> (398)
313.3559

>  <Cat> (398)
P3559

>  <Name> (398)
WAY-277306

>  <Synonyms> (398)
N/A

>  <Target> (398)
EZH2

>  <Form> (398)
free base

>  <CAS> (398)
763096-21-5

>  <URL> (398)
N/A

$$$$
WAY-335492
csChFnd80/12261913382D

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.4792   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -2.1542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -3.4000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7667   -3.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000   -2.1625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3250   -3.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7667   -4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9000   -2.5667    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1917   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5542   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0792   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -5.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9042   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9000   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8167   -0.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.4458    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  1  2  0  0  0  0
  9  5  2  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  7  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  1  0  0  0  0
 17 10  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  2  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
  5  6  1  0  0  0  0
 21 15  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
>  <Mol_ID> (399)
399

>  <Formula> (399)
C20H27FN2O2

>  <MolWeight> (399)
346.4389832

>  <Cat> (399)
P3622

>  <Name> (399)
WAY-335492

>  <Synonyms> (399)
N/A

>  <Target> (399)
microRNA

>  <Form> (399)
free base

>  <CAS> (399)
786725-13-1

>  <URL> (399)
N/A

$$$$
WAY-629450-A
csChFnd80/12261913382D

 18 20  0  0  0  0  0  0  0  0999 V2000
   -0.5684    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5684   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420   -1.5770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420    2.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7891    2.6334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8592   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0063   -0.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799    1.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0799   -1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3925   -0.6287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4891   -2.1942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972    0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972   -0.8735    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
  4 10  2  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <Mol_ID> (400)
400

>  <Formula> (400)
C16H17NO

>  <MolWeight> (400)
239.31228

>  <Cat> (400)
P3659

>  <Name> (400)
WAY-629450-A

>  <Synonyms> (400)
N/A

>  <Target> (400)
HDAC

>  <Form> (400)
free base

>  <CAS> (400)
851901-67-2

>  <URL> (400)
N/A

$$$$
CL-224747
csChFnd80/12261913382D

 12 13  0  0  0  0  0  0  0  0999 V2000
   -0.0408   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0408    0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925    0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489   -0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075   -0.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4489    0.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2075    0.5690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.1414    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  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <Mol_ID> (401)
401

>  <Formula> (401)
C9H8N2O

>  <MolWeight> (401)
160.17262

>  <Cat> (401)
P3539

>  <Name> (401)
CL-224747

>  <Synonyms> (401)
N/A

>  <Target> (401)
PARP

>  <Form> (401)
free base

>  <CAS> (401)
802981-45-9

>  <URL> (401)
N/A

$$$$
WAY-339491
csChFnd80/12261913382D

 28 31  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
   -3.8708    2.9833    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
   -6.7042    6.9542    0.0000 N   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
   -3.1500    2.5708    0.0000 C   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    4.2042    0.0000 O   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
   -3.1500    1.7458    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
   -5.2833    1.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333    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
   -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
   -2.4458    5.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9958    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    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  8  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8 13  1  0  0  0  0
  9  1  1  0  0  0  0
 10  4  2  0  0  0  0
 11  7  2  0  0  0  0
 12  7  1  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
 15  5  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 18 11  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  9  1  0  0  0  0
 22  6  2  0  0  0  0
 23 21  2  0  0  0  0
 24 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28 22  1  0  0  0  0
  4  6  1  0  0  0  0
 13 25  2  0  0  0  0
 28 24  2  0  0  0  0
 18 16  2  0  0  0  0
M  END
>  <Mol_ID> (402)
402

>  <Formula> (402)
C21H17N3O3S

>  <MolWeight> (402)
391.44298

>  <Cat> (402)
P3624

>  <Name> (402)
WAY-339491

>  <Synonyms> (402)
N/A

>  <Target> (402)
histone acetyl transferase,sirtuin

>  <Form> (402)
free base

>  <CAS> (402)
863589-21-3

>  <URL> (402)
N/A

$$$$
WAY-339495
csChFnd80/12261913382D

 28 31  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
   -3.8708    2.9833    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
   -5.8833    6.9542    0.0000 C   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
   -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
   -6.7042    6.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5833    4.2042    0.0000 O   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
   -3.1500    1.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4375    2.9833    0.0000 O   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
   -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> (403)
403

>  <Formula> (403)
C21H17N3O3S

>  <MolWeight> (403)
391.44298

>  <Cat> (403)
P3625

>  <Name> (403)
WAY-339495

>  <Synonyms> (403)
N/A

>  <Target> (403)
histone acetyl transferase,sirtuin

>  <Form> (403)
free base

>  <CAS> (403)
863589-28-0

>  <URL> (403)
N/A

$$$$
WAY-339500
csChFnd80/12261913382D

 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> (404)
404

>  <Formula> (404)
C21H17N3O3S

>  <MolWeight> (404)
391.44298

>  <Cat> (404)
P3626

>  <Name> (404)
WAY-339500

>  <Synonyms> (404)
N/A

>  <Target> (404)
histone acetyl transferase,sirtuin

>  <Form> (404)
free base

>  <CAS> (404)
863589-44-0

>  <URL> (404)
N/A

$$$$
WAY-339503
csChFnd80/12261913382D

 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> (405)
405

>  <Formula> (405)
C20H15N3O2S

>  <MolWeight> (405)
361.417

>  <Cat> (405)
P3627

>  <Name> (405)
WAY-339503

>  <Synonyms> (405)
N/A

>  <Target> (405)
histone acetyl transferase,sirtuin

>  <Form> (405)
free base

>  <CAS> (405)
863589-52-0

>  <URL> (405)
N/A

$$$$
WAY-613308
csChFnd80/12261913382D

 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> (406)
406

>  <Formula> (406)
C18H14O4

>  <MolWeight> (406)
294.30136

>  <Cat> (406)
P3651

>  <Name> (406)
WAY-613308

>  <Synonyms> (406)
N/A

>  <Target> (406)
HDAC

>  <Form> (406)
free base

>  <CAS> (406)
503040-22-0

>  <URL> (406)
N/A

$$$$
WAY-613419
csChFnd80/12261913382D

 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> (407)
407

>  <Formula> (407)
C9H8N2OS

>  <MolWeight> (407)
192.23762

>  <Cat> (407)
P3652

>  <Name> (407)
WAY-613419

>  <Synonyms> (407)
N/A

>  <Target> (407)
Anti-infection,PARP,Adenosine Receptor

>  <Form> (407)
free base

>  <CAS> (407)
14346-25-9

>  <URL> (407)
N/A

$$$$
WAY-630921
csChFnd80/12261913382D

 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
   -2.5083   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    4.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2208   -1.5417    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 12  1  0  0  0  0
  8  1  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  2  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 20  2  0  0  0  0
 16  4  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  2  0  0  0  0
 19 17  2  0  0  0  0
 20 18  1  0  0  0  0
 21  6  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  2  0  0  0  0
 24 23  1  0  0  0  0
  3  5  2  0  0  0  0
 24 21  2  0  0  0  0
 19 15  1  0  0  0  0
M  END
>  <Mol_ID> (408)
408

>  <Formula> (408)
C19H19N3O2

>  <MolWeight> (408)
321.37306

>  <Cat> (408)
P3660

>  <Name> (408)
WAY-630921

>  <Synonyms> (408)
N/A

>  <Target> (408)
PARP

>  <Form> (408)
free base

>  <CAS> (408)
743451-47-0

>  <URL> (408)
N/A

$$$$
WAY-631668
csChFnd80/12261913382D

 33 37  0  0  0  0  0  0  0  0999 V2000
   -1.4583   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -1.5250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.1250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.9500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -3.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1708    0.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8833   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5958   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292   -0.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917    3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4042    3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.1250    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  7  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  2  0  0  0  0
  8  4  1  0  0  0  0
  9 15  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  2  0  0  0  0
 12  4  2  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
 19  3  1  0  0  0  0
 20  6  1  0  0  0  0
 21  7  1  0  0  0  0
 22 18  1  0  0  0  0
 23 18  2  0  0  0  0
 24 17  2  0  0  0  0
 25 17  1  0  0  0  0
 26 20  2  0  0  0  0
 27 26  1  0  0  0  0
 28 25  2  0  0  0  0
 29 22  2  0  0  0  0
 30 23  1  0  0  0  0
 31 24  1  0  0  0  0
 32 28  1  0  0  0  0
 33 30  2  0  0  0  0
  5  3  1  0  0  0  0
 27 21  2  0  0  0  0
  9 16  1  0  0  0  0
 33 29  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
>  <Mol_ID> (409)
409

>  <Formula> (409)
C27H26N4O2

>  <MolWeight> (409)
438.52094

>  <Cat> (409)
P3661

>  <Name> (409)
WAY-631668

>  <Synonyms> (409)
N/A

>  <Target> (409)
DOT1L

>  <Form> (409)
free base

>  <CAS> (409)
736189-79-0

>  <URL> (409)
N/A

$$$$
WAY-631878
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
   -0.2458   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375    0.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6750   -0.9917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5375   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    0.2458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -2.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917   -2.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417   -0.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2542    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2458    2.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2417   -2.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4667    2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    1.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1792    2.3083    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  7  2  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 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 20  2  0  0  0  0
  9  8  1  0  0  0  0
  6  7  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
>  <Mol_ID> (410)
410

>  <Formula> (410)
C15H16N4O3

>  <MolWeight> (410)
300.31254

>  <Cat> (410)
P3662

>  <Name> (410)
WAY-631878

>  <Synonyms> (410)
N/A

>  <Target> (410)
BET

>  <Form> (410)
free base

>  <CAS> (410)
568567-43-1

>  <URL> (410)
N/A

$$$$
WAY-650876
csChFnd80/12261913382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    0.2292   -0.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -0.9167    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    0.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792    1.1708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    1.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.0792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6917    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -0.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5125    0.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1833   -1.0792    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  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  6  1  0  0  0  0
 11  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14  5  2  0  0  0  0
 15 11  2  0  0  0  0
 16 10  2  0  0  0  0
 17 13  2  0  0  0  0
 18 13  1  0  0  0  0
 19 11  1  0  0  0  0
 20 16  1  0  0  0  0
  6  4  2  0  0  0  0
  9  8  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Mol_ID> (411)
411

>  <Formula> (411)
C13H11N3O3S

>  <MolWeight> (411)
289.30974

>  <Cat> (411)
P3670

>  <Name> (411)
WAY-650876

>  <Synonyms> (411)
N/A

>  <Target> (411)
HDAC6

>  <Form> (411)
free base

>  <CAS> (411)
848065-95-2

>  <URL> (411)
N/A

$$$$
WAY-270360
csChFnd80/12261913382D

 28 31  0  0  0  0  0  0  0  0999 V2000
    0.2542    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0792    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.3333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375    0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542    0.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9167    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9792    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6375    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7375    1.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792    1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3792    1.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8625    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    0.9333    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  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9 16  1  0  0  0  0
 10  4  1  0  0  0  0
 11  1  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  1  0  0  0  0
 15 11  2  0  0  0  0
 16 21  2  0  0  0  0
 17 18  1  0  0  0  0
 18 10  2  0  0  0  0
 19  6  1  0  0  0  0
 20 14  2  0  0  0  0
 21 15  1  0  0  0  0
 22 17  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25 19  1  0  0  0  0
 26 22  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  2  0  0  0  0
  7  8  2  0  0  0  0
 16 20  1  0  0  0  0
 28 27  1  0  0  0  0
 12 17  2  0  0  0  0
M  END
>  <Mol_ID> (412)
412

>  <Formula> (412)
C22H19N3O3

>  <MolWeight> (412)
373.40456

>  <Cat> (412)
P3549

>  <Name> (412)
WAY-270360

>  <Synonyms> (412)
N/A

>  <Target> (412)
histone acetyl transferase,sirtuin

>  <Form> (412)
free base

>  <CAS> (412)
476633-98-4

>  <URL> (412)
N/A

$$$$
WAY-270374
csChFnd80/12261913382D

 23 24  0  0  0  0  0  0  0  0999 V2000
    0.1042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7958    1.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.3833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1708    2.2833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7333    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9667    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5500    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333    1.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292    0.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    1.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958    1.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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> (413)
413

>  <Formula> (413)
C15H14F2N2O3S

>  <MolWeight> (413)
340.3450664

>  <Cat> (413)
P3550

>  <Name> (413)
WAY-270374

>  <Synonyms> (413)
N/A

>  <Target> (413)
microRNA

>  <Form> (413)
free base

>  <CAS> (413)
476643-66-0

>  <URL> (413)
N/A

$$$$
WAY-270603
csChFnd80/12261913382D

 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> (414)
415

>  <Formula> (414)
C23H21N3O4

>  <MolWeight> (414)
403.43054

>  <Cat> (414)
P3552

>  <Name> (414)
WAY-270603

>  <Synonyms> (414)
N/A

>  <Target> (414)
glucose transporter PfHT,HAT,sirtuin

>  <Form> (414)
free base

>  <CAS> (414)
303141-65-3

>  <URL> (414)
N/A

$$$$
WAY-601310
csChFnd80/12261913382D

 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> (415)
416

>  <Formula> (415)
C11H9N3O

>  <MolWeight> (415)
199.20866

>  <Cat> (415)
P3643

>  <Name> (415)
WAY-601310

>  <Synonyms> (415)
N/A

>  <Target> (415)
PARP

>  <Form> (415)
free base

>  <CAS> (415)
25468-50-2

>  <URL> (415)
N/A

$$$$
WAY-601411
csChFnd80/12261913382D

 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> (416)
417

>  <Formula> (416)
C23H26N4O4

>  <MolWeight> (416)
422.47694

>  <Cat> (416)
P3644

>  <Name> (416)
WAY-601411

>  <Synonyms> (416)
N/A

>  <Target> (416)
HAT,sirtuin

>  <Form> (416)
free base

>  <CAS> (416)
717120-17-7

>  <URL> (416)
N/A

$$$$
WAY-601037-A
csChFnd80/12261913382D

 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> (417)
418

>  <Formula> (417)
C22H26N2O

>  <MolWeight> (417)
334.45464

>  <Cat> (417)
P3641

>  <Name> (417)
WAY-601037

>  <Synonyms> (417)
N/A

>  <Target> (417)
DNA Methyltransferase 1

>  <Form> (417)
free base

>  <CAS> (417)
300590-63-0

>  <URL> (417)
N/A

$$$$
WAY-601116
csChFnd80/12261913382D

 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
    0.2792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7833   -2.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0750   -0.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4375    1.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0333   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -1.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5792   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    1.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3875   -2.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8542    1.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    2.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667    2.6125    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  2  2  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  7  2  0  0  0  0
 10  9  1  0  0  0  0
 11  3  2  0  0  0  0
 12  8  2  0  0  0  0
 13  5  1  0  0  0  0
 14 10  2  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  7  1  0  0  0  0
 19  9  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  2  0  0  0  0
 23 17  2  0  0  0  0
 24 18  2  0  0  0  0
 25 24  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29 27  2  0  0  0  0
  6  5  1  0  0  0  0
 28 20  2  0  0  0  0
 25 19  2  0  0  0  0
 29 26  1  0  0  0  0
M  END
>  <Mol_ID> (418)
419

>  <Formula> (418)
C23H18N2O4

>  <MolWeight> (418)
386.40002

>  <Cat> (418)
P3642

>  <Name> (418)
WAY-601116

>  <Synonyms> (418)
N/A

>  <Target> (418)
microRNA

>  <Form> (418)
free base

>  <CAS> (418)
353763-50-5

>  <URL> (418)
N/A

$$$$
WAY-601673
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.7861    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    0.4175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723   -0.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896    2.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137    0.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656    0.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3516   -0.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723    2.8796    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2137    1.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656   -0.4204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0242   -1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -2.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -0.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484   -1.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -2.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139   -2.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4415   -0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2863   -0.8687    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  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
  7 11  1  0  0  0  0
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
>  <Mol_ID> (419)
420

>  <Formula> (419)
C20H26ClN3O

>  <MolWeight> (419)
359.89294

>  <Cat> (419)
P3645

>  <Name> (419)
WAY-601673

>  <Synonyms> (419)
N/A

>  <Target> (419)
HIF PHD,Prolylhydroxylase

>  <Form> (419)
free base

>  <CAS> (419)
380192-95-0

>  <URL> (419)
N/A

$$$$
WAY-615693
csChFnd80/12261913382D

 26 30  0  0  0  0  0  0  0  0999 V2000
   -0.7458    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2625    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4083    1.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458    3.1458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5333    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5542    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.9708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1125   -1.8750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    1.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5583   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2625   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    3.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2667   -2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -2.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750   -2.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   -3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042   -2.8875    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  1  1  0  0  0  0
  6  5  2  0  0  0  0
  7  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
 10 17  1  0  0  0  0
 11  8  2  0  0  0  0
 12  9  1  0  0  0  0
 13 10  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  5  1  0  0  0  0
 19  6  1  0  0  0  0
 20 13  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  2  0  0  0  0
 24 23  1  0  0  0  0
 25 22  2  0  0  0  0
 26 24  2  0  0  0  0
  6  4  1  0  0  0  0
 21 19  1  0  0  0  0
 11  7  1  0  0  0  0
 16 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
>  <Mol_ID> (420)
421

>  <Formula> (420)
C21H24N4S

>  <MolWeight> (420)
364.50706

>  <Cat> (420)
P3653

>  <Name> (420)
WAY-615693

>  <Synonyms> (420)
N/A

>  <Target> (420)
MLL protein and menin interaction

>  <Form> (420)
free base

>  <CAS> (420)
568575-51-9

>  <URL> (420)
N/A

$$$$
WAY-632889
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
    1.7917   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2042   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -1.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9042   -0.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6708    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3833    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0958    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    2.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.5042    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    2.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542   -2.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -3.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -2.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042   -3.4292    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  8  1  0  0  0  0
  8 13  1  0  0  0  0
  9  7  1  0  0  0  0
 10 12  1  0  0  0  0
 11 10  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 14  5  2  0  0  0  0
 15  9  2  0  0  0  0
 16  6  1  0  0  0  0
 17 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 16  1  0  0  0  0
 20 14  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 23 14  1  0  0  0  0
 24 22  2  0  0  0  0
 25 24  1  0  0  0  0
  6  4  2  0  0  0  0
 25 23  2  0  0  0  0
 12  8  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <Mol_ID> (421)
422

>  <Formula> (421)
C18H11BrN2O4

>  <MolWeight> (421)
399.19494

>  <Cat> (421)
P3663

>  <Name> (421)
WAY-632889

>  <Synonyms> (421)
N/A

>  <Target> (421)
microRNA

>  <Form> (421)
free base

>  <CAS> (421)
784169-89-7

>  <URL> (421)
N/A

$$$$
WAY-633558
csChFnd80/12261913382D

 21 24  0  0  0  0  0  0  0  0999 V2000
    0.2292    1.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    0.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -1.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    2.9583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    2.7958    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    2.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7500    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -2.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833    0.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -2.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9500   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4833   -3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292   -3.6500    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 17  1  0  0  0  0
  6  1  1  0  0  0  0
  7 11  1  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  2  0  0  0  0
 13  8  2  0  0  0  0
 14  3  1  0  0  0  0
 15  3  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  8  1  0  0  0  0
 19 13  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
  7  4  2  0  0  0  0
  5 16  1  0  0  0  0
 12  9  1  0  0  0  0
 21 19  2  0  0  0  0
M  END
>  <Mol_ID> (422)
423

>  <Formula> (422)
C15H15N5S

>  <MolWeight> (422)
297.3781

>  <Cat> (422)
P3664

>  <Name> (422)
WAY-633558

>  <Synonyms> (422)
N/A

>  <Target> (422)
MLL protein and menin interaction

>  <Form> (422)
free base

>  <CAS> (422)
786715-29-5

>  <URL> (422)
N/A

$$$$
WAY-652291
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.3583   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -0.4042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -1.6417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667   -1.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.0083    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8542   -0.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417   -0.8167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1125    0.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    1.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    2.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    3.3083    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  5  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  9  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  2  0  0  0  0
 22 20  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
  7 10  1  0  0  0  0
  4  6  1  0  0  0  0
 11 12  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (423)
424

>  <Formula> (423)
C18H17N3O4

>  <MolWeight> (423)
339.34528

>  <Cat> (423)
P3671

>  <Name> (423)
WAY-652291

>  <Synonyms> (423)
N/A

>  <Target> (423)
BET Bromodomain

>  <Form> (423)
free base

>  <CAS> (423)
854137-39-6

>  <URL> (423)
N/A

$$$$
WAY-652941
csChFnd80/12261913382D

 28 30  0  0  0  0  0  0  0  0999 V2000
    2.2667   -2.1917    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    1.9333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    2.7583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    0.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -2.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875    0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -2.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -1.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5875   -0.5417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3083    3.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    0.6958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5542   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -1.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8417   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -3.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7333    3.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667   -3.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    2.7583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458    1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (424)
425

>  <Formula> (424)
C19H20N4O4S

>  <MolWeight> (424)
400.4515

>  <Cat> (424)
P3672

>  <Name> (424)
WAY-652941

>  <Synonyms> (424)
N/A

>  <Target> (424)
PARP,Rac1

>  <Form> (424)
free base

>  <CAS> (424)
854022-49-4

>  <URL> (424)
N/A

$$$$
WAY-271933
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.2792   -0.3542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292    0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5167   -0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    0.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000    0.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6542    0.1833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0375    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   -0.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3583    0.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792   -0.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -0.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -0.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6167    1.1583    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708    1.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -1.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833   -0.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7833    0.7750    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  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
 19 10  2  0  0  0  0
 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> (425)
426

>  <Formula> (425)
C15H15N5O2S

>  <MolWeight> (425)
329.3769

>  <Cat> (425)
P3553

>  <Name> (425)
WAY-271933

>  <Synonyms> (425)
N/A

>  <Target> (425)
DOT1L

>  <Form> (425)
free base

>  <CAS> (425)
612525-79-8

>  <URL> (425)
N/A

$$$$
WAY-272124
csChFnd80/12261913382D

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.4917    2.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.2125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -1.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -2.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917   -1.5375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7417    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0167   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -2.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6875    1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542   -0.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7292   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8667   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2917   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    3.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4542    2.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8792    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5917    0.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1542   -7.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5792   -6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (426)
427

>  <Formula> (426)
C24H23N3O4

>  <MolWeight> (426)
417.45712

>  <Cat> (426)
P3554

>  <Name> (426)
WAY-272124

>  <Synonyms> (426)
N/A

>  <Target> (426)
histone acetyl transferase,sirtuin

>  <Form> (426)
free base

>  <CAS> (426)
694469-31-3

>  <URL> (426)
N/A

$$$$
WAY-272172
csChFnd80/12261913382D

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.9042    3.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0167    3.8958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0042    4.8542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0167    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    6.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.4750    6.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    5.1042   10.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1125    3.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3625    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4292    1.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    6.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000    3.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1042    7.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667   11.9792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042   10.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   13.1417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6417    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  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> (427)
428

>  <Formula> (427)
C17H18N2O3S

>  <MolWeight> (427)
330.40142

>  <Cat> (427)
P3555

>  <Name> (427)
WAY-272172

>  <Synonyms> (427)
N/A

>  <Target> (427)
microRNA

>  <Form> (427)
free base

>  <CAS> (427)
702650-31-5

>  <URL> (427)
N/A

$$$$
WAY-272277
csChFnd80/12261913382D

 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> (428)
429

>  <Formula> (428)
C24H23N3O4

>  <MolWeight> (428)
417.45712

>  <Cat> (428)
P3556

>  <Name> (428)
WAY-272277

>  <Synonyms> (428)
N/A

>  <Target> (428)
histone acetyl transferase,sirtuin

>  <Form> (428)
free base

>  <CAS> (428)
708995-11-3

>  <URL> (428)
N/A

$$$$
WAY-320144
csChFnd80/12261913382D

 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> (429)
430

>  <Formula> (429)
C23H21N3O4

>  <MolWeight> (429)
403.43054

>  <Cat> (429)
P3595

>  <Name> (429)
WAY-320144

>  <Synonyms> (429)
N/A

>  <Target> (429)
histone acetyl transferase,sirtuin

>  <Form> (429)
free base

>  <CAS> (429)
313275-18-2

>  <URL> (429)
N/A

$$$$
WAY-320391
csChFnd80/12261913382D

 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> (430)
431

>  <Formula> (430)
C20H18ClN3O2S

>  <MolWeight> (430)
399.89382

>  <Cat> (430)
P3596

>  <Name> (430)
WAY-320391

>  <Synonyms> (430)
N/A

>  <Target> (430)
DNA Methyltransferase 1

>  <Form> (430)
free base

>  <CAS> (430)
488825-25-8

>  <URL> (430)
N/A

$$$$
WAY-601986
csChFnd80/12261913382D

 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> (431)
432

>  <Formula> (431)
C19H14N4OS

>  <MolWeight> (431)
346.40566

>  <Cat> (431)
P3646

>  <Name> (431)
WAY-601986

>  <Synonyms> (431)
N/A

>  <Target> (431)
PARP

>  <Form> (431)
free base

>  <CAS> (431)
375394-80-2

>  <URL> (431)
N/A

$$$$
WAY-603231
csChFnd80/12261913382D

 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
   -1.5458   -0.9417    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875    1.1083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4875   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.7042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2333    1.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458    0.5458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0458   -1.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9875   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7000    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583   -0.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7583    0.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  7  2  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  1  0  0  0  0
 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
 14  8  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 14  1  0  0  0  0
 20 18  2  0  0  0  0
 21 17  2  0  0  0  0
 22 16  2  0  0  0  0
 23 19  2  0  0  0  0
 11  9  2  0  0  0  0
 21 22  1  0  0  0  0
 12 14  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
>  <Mol_ID> (432)
433

>  <Formula> (432)
C18H10N2O2S

>  <MolWeight> (432)
318.3492

>  <Cat> (432)
P3647

>  <Name> (432)
WAY-603231

>  <Synonyms> (432)
N/A

>  <Target> (432)
sirtuin,HAT

>  <Form> (432)
free base

>  <CAS> (432)
327104-77-8

>  <URL> (432)
N/A

$$$$
SD-57881
csChFnd80/12261913382D

 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
    2.0291    0.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187    0.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8322    0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542    1.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8664    1.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7058   -0.2328    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    0.5189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5011   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9780   -1.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4574   -0.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602   -0.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444   -0.0858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4277   -0.3858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0890   -0.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6056   -0.3817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0848    0.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3735    0.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5236    0.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0194   -1.2858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 16 22  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
>  <Mol_ID> (433)
434

>  <Formula> (433)
C15H13N3O3S2

>  <MolWeight> (433)
347.41202

>  <Cat> (433)
P3544

>  <Name> (433)
SD-57881

>  <Synonyms> (433)
N/A

>  <Target> (433)
zinc metalloenzyme

>  <Form> (433)
free base

>  <CAS> (433)
349415-77-6

>  <URL> (433)
N/A

$$$$
WAY-320884
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -1.2625   -0.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    0.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5833   -0.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -0.1875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833   -1.3292    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208   -1.4875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -1.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.5125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -0.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0042    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5208    1.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5792    1.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2667    1.5333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833   -1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3833    0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8833    0.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8042    2.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3167    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0042    1.0208    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  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> (434)
435

>  <Formula> (434)
C16H19N3O4S

>  <MolWeight> (434)
349.40476

>  <Cat> (434)
P3597

>  <Name> (434)
WAY-320884

>  <Synonyms> (434)
N/A

>  <Target> (434)
sirtuin 5

>  <Form> (434)
free base

>  <CAS> (434)
450356-20-4

>  <URL> (434)
N/A

$$$$
WAY-321539
csChFnd80/12261913382D

 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
    0.1042   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292    0.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958   -0.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3042   -0.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -0.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7042   -0.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958   -0.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4958    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500   -0.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2958    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042   -0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708    0.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (435)
436

>  <Formula> (435)
C15H15N5O2

>  <MolWeight> (435)
297.3119

>  <Cat> (435)
P3598

>  <Name> (435)
WAY-321539

>  <Synonyms> (435)
N/A

>  <Target> (435)
STAT3

>  <Form> (435)
free base

>  <CAS> (435)
332074-13-2

>  <URL> (435)
N/A

$$$$
WAY-321927
csChFnd80/12261913382D

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.3000   -2.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3000   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6542   -3.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5375   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -1.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0375   -3.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -4.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9167   -5.1375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042   -0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9042    0.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5667   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    1.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542    1.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1542   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5542    1.8625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8542    1.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -2.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4042   -3.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    6.8000   -2.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000   -3.3375    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  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
 19 16  1  0  0  0  0
 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> (436)
437

>  <Formula> (436)
C25H25N5O

>  <MolWeight> (436)
411.4989

>  <Cat> (436)
P3599

>  <Name> (436)
WAY-321927

>  <Synonyms> (436)
N/A

>  <Target> (436)
EZH2

>  <Form> (436)
free base

>  <CAS> (436)
342780-77-2

>  <URL> (436)
N/A

$$$$
WAY-321944
csChFnd80/12261913382D

 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
    1.1453   -0.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3453   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1926   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143   -0.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4143   -1.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6143   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1453    0.1652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -1.2754    0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4650    1.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (437)
438

>  <Formula> (437)
C17H16N2O3

>  <MolWeight> (437)
296.32054

>  <Cat> (437)
P3600

>  <Name> (437)
WAY-321944

>  <Synonyms> (437)
N/A

>  <Target> (437)
BRD4,Anti-infection

>  <Form> (437)
free base

>  <CAS> (437)
10001-31-7

>  <URL> (437)
N/A

$$$$
WAY-322593
csChFnd80/12261913382D

 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
    2.3958    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6521    9.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.5966    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2084    9.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7897    2.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6253    0.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0115    2.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8471    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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> (438)
439

>  <Formula> (438)
C19H17ClN2O

>  <MolWeight> (438)
324.80408

>  <Cat> (438)
P3601

>  <Name> (438)
WAY-322593

>  <Synonyms> (438)
N/A

>  <Target> (438)
HIF PHD,apoptosis

>  <Form> (438)
free base

>  <CAS> (438)
501017-82-9

>  <URL> (438)
N/A

$$$$
WAY-322757
csChFnd80/12261913382D

 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
    4.2167   -6.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2167   -3.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6500   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4000   -3.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -5.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292   -4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9500   -4.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5292   -4.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9375   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875   -7.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4792   -8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -8.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1875   -9.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -9.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4667   -9.9375    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  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> (439)
440

>  <Formula> (439)
C25H21N5O3

>  <MolWeight> (439)
439.46594

>  <Cat> (439)
P3602

>  <Name> (439)
WAY-322757

>  <Synonyms> (439)
N/A

>  <Target> (439)
MLL-menin interaction

>  <Form> (439)
free base

>  <CAS> (439)
683806-57-7

>  <URL> (439)
N/A

$$$$
WAY-323061
csChFnd80/12261913382D

 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
    2.1667    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1292    0.2625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    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
    1.6167    1.8125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5875    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.6458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6000   -0.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4625    1.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7708    1.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958    0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3125    2.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    0.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    1.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4875    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0875    0.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    2.9333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0333    0.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1000    2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2958    3.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042    0.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8208    0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3625    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6875   -1.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7000   -1.9792    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  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  9  8  1  0  0  0  0
 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
 22 13  1  0  0  0  0
 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> (440)
441

>  <Formula> (440)
C25H21N5O2S

>  <MolWeight> (440)
455.53154

>  <Cat> (440)
P3603

>  <Name> (440)
WAY-323061

>  <Synonyms> (440)
N/A

>  <Target> (440)
SIRT2

>  <Form> (440)
free base

>  <CAS> (440)
550301-63-8

>  <URL> (440)
N/A

$$$$
WAY-323062
csChFnd80/12261913382D

 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
    2.5292   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    2.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7000    3.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1500    0.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9875    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2500    0.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8000    1.7708    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5500    2.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    2.3958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042    1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0292    1.0333    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500    1.0333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3708    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    1.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9667   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2083    3.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -1.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5042    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5875    0.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125    2.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042   -2.0500    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 12  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  2  0  0  0  0
  7  2  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12 16  1  0  0  0  0
 13 10  1  0  0  0  0
 14  5  2  0  0  0  0
 15 14  1  0  0  0  0
 16 19  1  0  0  0  0
 17 14  1  0  0  0  0
 18 16  2  0  0  0  0
 19 17  1  0  0  0  0
 20  3  1  0  0  0  0
 21  7  1  0  0  0  0
 22  9  1  0  0  0  0
 23 11  1  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  2  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 24  1  0  0  0  0
 30 25  1  0  0  0  0
  7  9  2  0  0  0  0
  8 15  2  0  0  0  0
 26 27  1  0  0  0  0
 11 13  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <Mol_ID> (441)
442

>  <Formula> (441)
C21H22N6OS2

>  <MolWeight> (441)
438.56898

>  <Cat> (441)
P3604

>  <Name> (441)
WAY-323062

>  <Synonyms> (441)
N/A

>  <Target> (441)
SIRT2

>  <Form> (441)
free base

>  <CAS> (441)
. 522650-91-5

>  <URL> (441)
N/A

$$$$
WAY-323091
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 19  1  0  0  0  0
 19 16  2  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 26  1  0  0  0  0
 26 12  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  6  1  0  0  0  0
 24 29  1  0  0  0  0
 20 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (442)
443

>  <Formula> (442)
C22H15Cl2N3O2

>  <MolWeight> (442)
424.2794

>  <Cat> (442)
P3605

>  <Name> (442)
WAY-323091

>  <Synonyms> (442)
N/A

>  <Target> (442)
PARP

>  <Form> (442)
free base

>  <CAS> (442)
684234-55-7

>  <URL> (442)
N/A

$$$$
WAY-323092
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.8875    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    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
   -1.9458   -0.0667    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 19  1  0  0  0  0
 17 26  2  0  0  0  0
 18 13  1  0  0  0  0
 19 14  2  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 23  1  0  0  0  0
 27 22  2  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
  6  4  1  0  0  0  0
 28 25  1  0  0  0  0
 16 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (443)
444

>  <Formula> (443)
C22H15Cl2N3O2

>  <MolWeight> (443)
424.2794

>  <Cat> (443)
P3606

>  <Name> (443)
WAY-323092

>  <Synonyms> (443)
N/A

>  <Target> (443)
PARP

>  <Form> (443)
free base

>  <CAS> (443)
684234-56-8

>  <URL> (443)
N/A

$$$$
WAY-323093
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -3.2500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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 10  1  0  0  0  0
 13  8  2  0  0  0  0
 14 12  1  0  0  0  0
 15  9  2  0  0  0  0
 16  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 20  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
 21 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23  5  2  0  0  0  0
 24  6  2  0  0  0  0
 25 26  1  0  0  0  0
 26 12  2  0  0  0  0
 27 25  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  4  6  1  0  0  0  0
 24 29  1  0  0  0  0
 19 18  2  0  0  0  0
 27 17  1  0  0  0  0
M  END
>  <Mol_ID> (444)
445

>  <Formula> (444)
C22H15BrClN3O2

>  <MolWeight> (444)
468.7304

>  <Cat> (444)
P3607

>  <Name> (444)
WAY-323093

>  <Synonyms> (444)
N/A

>  <Target> (444)
PARP

>  <Form> (444)
free base

>  <CAS> (444)
684234-57-9

>  <URL> (444)
N/A

$$$$
WAY-323096
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
    0.2542   -0.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    0.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500   -0.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -0.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -1.3667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833   -1.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8500    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    3.4208    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3667   -3.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958    0.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8292   -2.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (445)
446

>  <Formula> (445)
C22H15ClFN3O2

>  <MolWeight> (445)
407.8248032

>  <Cat> (445)
P3608

>  <Name> (445)
WAY-323096

>  <Synonyms> (445)
N/A

>  <Target> (445)
PARP

>  <Form> (445)
free base

>  <CAS> (445)
684234-60-4

>  <URL> (445)
N/A

$$$$
WAY-394670
csChFnd80/12261913382D

 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
    6.3359    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6679    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.9218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556    8.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1168    9.1867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3690    9.9794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1906    9.9802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4559    9.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7876    8.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7898    7.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0769    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5051    7.4723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5089    6.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7959    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8038    5.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2296    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    6.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6700   10.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3305   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8109   12.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314   11.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9718   11.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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> (446)
447

>  <Formula> (446)
C19H14N4OS

>  <MolWeight> (446)
346.40566

>  <Cat> (446)
P3640

>  <Name> (446)
WAY-394670

>  <Synonyms> (446)
N/A

>  <Target> (446)
PARP

>  <Form> (446)
free base

>  <CAS> (446)
378786-16-4

>  <URL> (446)
N/A

$$$$
WAY-603656
csChFnd80/12261913382D

 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
   -0.0625   -1.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -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> (447)
448

>  <Formula> (447)
C11H8N2OS2

>  <MolWeight> (447)
248.32402

>  <Cat> (447)
P3648

>  <Name> (447)
WAY-603656

>  <Synonyms> (447)
N/A

>  <Target> (447)
histone acetyltransferases,Nox enzyme

>  <Form> (447)
free base

>  <CAS> (447)
717118-15-5

>  <URL> (447)
N/A

$$$$
WAY-603657
csChFnd80/12261913382D

 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
   -0.8708    0.7458    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -0.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    1.7125   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6125   -1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292   -0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833   -0.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0833    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417   -0.3292    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  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> (448)
449

>  <Formula> (448)
C14H8N2OS2

>  <MolWeight> (448)
284.35612

>  <Cat> (448)
P3649

>  <Name> (448)
WAY-603657

>  <Synonyms> (448)
N/A

>  <Target> (448)
histone acetyltransferases

>  <Form> (448)
free base

>  <CAS> (448)
100527-13-7

>  <URL> (448)
N/A

$$$$
WAY-638078
csChFnd80/12261913382D

 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
   -0.6625   -2.4417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    1.2708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3750   -3.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.0958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0542   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542   -0.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    1.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -2.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8083   -1.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    0.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7667    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1917    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208   -1.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9125    3.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    2.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6250    3.3333    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  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> (449)
450

>  <Formula> (449)
C20H22N4O2

>  <MolWeight> (449)
350.41428

>  <Cat> (449)
P3665

>  <Name> (449)
WAY-638078

>  <Synonyms> (449)
N/A

>  <Target> (449)
PARP

>  <Form> (449)
free base

>  <CAS> (449)
794562-86-0

>  <URL> (449)
N/A

$$$$
WAY-655845
csChFnd80/12261913382D

 25 27  0  0  0  0  0  0  0  0999 V2000
   -0.6458    1.2583    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -2.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -1.2667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -2.3125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458    1.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    1.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -2.7250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9667   -3.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125    0.4458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1875   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -0.8292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9500    0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6458    2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7167    1.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    1.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9292   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3958    2.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7750    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1333    2.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  9  1  0  0  0  0
  7  1  1  0  0  0  0
  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
 16  5  1  0  0  0  0
 17  5  1  0  0  0  0
 18  7  2  0  0  0  0
 19 20  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 22  1  0  0  0  0
 19  9  1  0  0  0  0
 24 25  1  0  0  0  0
 10 14  2  0  0  0  0
M  END
>  <Mol_ID> (450)
451

>  <Formula> (450)
C17H21N3O3S2

>  <MolWeight> (450)
379.49694

>  <Cat> (450)
P3673

>  <Name> (450)
WAY-655845

>  <Synonyms> (450)
N/A

>  <Target> (450)
SIRT2

>  <Form> (450)
free base

>  <CAS> (450)
865267-78-3

>  <URL> (450)
N/A

$$$$
WAY-657361
csChFnd80/12261913382D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.4333    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    1.3875    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
   -1.1458   -0.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8625    0.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792    1.3875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -0.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7792   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2667    0.5625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792    1.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5750    1.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -1.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0375   -0.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9917   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333   -2.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2792   -2.7375    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  9  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12 13  1  0  0  0  0
 13  9  1  0  0  0  0
 14  6  2  0  0  0  0
 15  5  2  0  0  0  0
 16 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  3  1  0  0  0  0
 19 16  1  0  0  0  0
 20 16  2  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 19  2  0  0  0  0
 24 22  2  0  0  0  0
  4 10  1  0  0  0  0
  7  5  1  0  0  0  0
 12 11  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
>  <Mol_ID> (451)
452

>  <Formula> (451)
C17H15N3O4

>  <MolWeight> (451)
325.3187

>  <Cat> (451)
P3674

>  <Name> (451)
WAY-657361

>  <Synonyms> (451)
N/A

>  <Target> (451)
BET Bromodomain

>  <Form> (451)
free base

>  <CAS> (451)
852957-78-9

>  <URL> (451)
N/A

$$$$
WAY-323744
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -1.0458   -1.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792    2.5833    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4708   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0500   -1.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4792   -0.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2292    2.0708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5375    3.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -3.4167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0125   -0.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4292   -0.8167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8875    3.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0333    0.0208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3542    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    1.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9042    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9500   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9833   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792    0.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9458   -0.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9125   -3.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -2.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4208   -0.8667    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 10  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10 20  1  0  0  0  0
 11  4  2  0  0  0  0
 12  4  2  0  0  0  0
 13  2  2  0  0  0  0
 14  3  2  0  0  0  0
 15  9  1  0  0  0  0
 16  4  1  0  0  0  0
 17  9  2  0  0  0  0
 18  7  2  0  0  0  0
 19 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 15  1  0  0  0  0
 22  6  2  0  0  0  0
 23  5  2  0  0  0  0
 24 21  2  0  0  0  0
 25 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27 22  1  0  0  0  0
 28 18  1  0  0  0  0
 29 26  2  0  0  0  0
  6  7  1  0  0  0  0
 29 18  1  0  0  0  0
 27 28  2  0  0  0  0
 19 10  2  0  0  0  0
M  END
>  <Mol_ID> (452)
453

>  <Formula> (452)
C20H15N3O5S

>  <MolWeight> (452)
409.4152

>  <Cat> (452)
P3609

>  <Name> (452)
WAY-323744

>  <Synonyms> (452)
N/A

>  <Target> (452)
EZH2

>  <Form> (452)
free base

>  <CAS> (452)
854134-90-0

>  <URL> (452)
N/A

$$$$
WAY-324030
csChFnd80/12261913382D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.5792   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1167    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958    0.9208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    0.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6125   -1.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8292    2.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    1.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125   -2.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125   -1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000    3.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7958   -2.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0958   -3.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958   -3.3000    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  3  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  2  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  2  0  0  0  0
 18 16  2  0  0  0  0
  5  4  2  0  0  0  0
 14 15  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
>  <Mol_ID> (453)
454

>  <Formula> (453)
C15H16N2O

>  <MolWeight> (453)
240.30034

>  <Cat> (453)
P3610

>  <Name> (453)
WAY-324030

>  <Synonyms> (453)
N/A

>  <Target> (453)
CBP/EP300 

>  <Form> (453)
free base

>  <CAS> (453)
92579-34-5

>  <URL> (453)
N/A

$$$$
WAY-324142
csChFnd80/12261913382D

 25 28  0  0  0  0  0  0  0  0999 V2000
    2.8667   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5375   -4.5875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1292   -3.3167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2042   -4.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9542   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500   -4.1042    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -3.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -4.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -2.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000   -3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9500   -4.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2167   -2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3875   -4.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   -3.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4292   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1542   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9500   -5.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5542   -4.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8292   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2500   -1.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7875   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6167   -2.1167    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  9  1  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  1  1  0  0  0  0
  9 15  1  0  0  0  0
 10  4  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  2  0  0  0  0
 18 14  1  0  0  0  0
 19 10  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 14  2  0  0  0  0
 23 18  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 11 12  2  0  0  0  0
  4  6  2  0  0  0  0
 21 15  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
>  <Mol_ID> (454)
455

>  <Formula> (454)
C19H15N3O2S

>  <MolWeight> (454)
349.4063

>  <Cat> (454)
P3611

>  <Name> (454)
WAY-324142

>  <Synonyms> (454)
N/A

>  <Target> (454)
HAT,sirtuin

>  <Form> (454)
free base

>  <CAS> (454)
667910-69-2

>  <URL> (454)
N/A

$$$$
WAY-324168
csChFnd80/12261913382D

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.3292    3.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3250    1.9833    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.2667    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667    3.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7917   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9042   -0.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7292    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667    4.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9292    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2667   -1.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -0.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3917    5.3792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6167   -3.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0000   -1.6667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3042   -3.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8000    6.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3875   -3.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4792    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -3.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375   -3.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  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 12  1  0  0  0  0
 10  5  1  0  0  0  0
 11  1  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 14  8  2  0  0  0  0
 15 14  1  0  0  0  0
 16  7  2  0  0  0  0
 17  7  1  0  0  0  0
 18 11  3  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22  2  1  0  0  0  0
 23  9  1  0  0  0  0
 24 12  1  0  0  0  0
 25 13  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
  5  6  1  0  0  0  0
 13  9  2  0  0  0  0
 15 10  2  0  0  0  0
 21 20  1  0  0  0  0
M  END
>  <Mol_ID> (455)
456

>  <Formula> (455)
C20H18N2O6

>  <MolWeight> (455)
382.36672

>  <Cat> (455)
P3612

>  <Name> (455)
WAY-324168

>  <Synonyms> (455)
N/A

>  <Target> (455)
microtubule

>  <Form> (455)
free base

>  <CAS> (455)
663214-48-0

>  <URL> (455)
N/A

$$$$
WAY-324205
csChFnd80/12261913382D

 29 33  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
    4.1375   -6.0375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4167   -7.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -6.4667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1667   -7.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -6.0167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1167   -5.1792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6500   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0375   -5.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4042   -9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6542   -8.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6875   -6.0667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8542   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792   -8.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4167   -9.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292   -9.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1500   -8.5500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6167   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000   -8.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875   -8.9667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9792   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3667   -8.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8500   -8.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -6.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -4.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -5.2667    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  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  2  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 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 22  1  0  0  0  0
 21 25  1  0  0  0  0
 22 19  1  0  0  0  0
 23 13  2  0  0  0  0
 24 13  1  0  0  0  0
 25 20  1  0  0  0  0
 26 21  1  0  0  0  0
 27 24  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  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
 29 28  2  0  0  0  0
M  END
>  <Mol_ID> (456)
457

>  <Formula> (456)
C25H30N2O2

>  <MolWeight> (456)
390.5179

>  <Cat> (456)
P3614

>  <Name> (456)
WAY-324205

>  <Synonyms> (456)
N/A

>  <Target> (456)
SIRT2

>  <Form> (456)
free base

>  <CAS> (456)
1005095-05-5

>  <URL> (456)
N/A

$$$$
WAY-324359
csChFnd80/12261913382D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.0125    1.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    0.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -1.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    1.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.4542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.0792    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    0.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5208    1.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    0.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0208    1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5125    3.0333    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  6  1  0  0  0  0
  6  4  1  0  0  0  0
  7  9  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15  7  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18  5  2  0  0  0  0
 19  6  2  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 22 12  1  0  0  0  0
 23 12  2  0  0  0  0
 24 20  1  0  0  0  0
 25 26  2  0  0  0  0
 26 19  1  0  0  0  0
 27 22  2  0  0  0  0
 28 23  1  0  0  0  0
 29 28  2  0  0  0  0
  5  3  1  0  0  0  0
 29 27  1  0  0  0  0
 18 25  1  0  0  0  0
 24 16  2  0  0  0  0
M  END
>  <Mol_ID> (457)
458

>  <Formula> (457)
C23H18ClN3O2

>  <MolWeight> (457)
403.86092

>  <Cat> (457)
P3615

>  <Name> (457)
WAY-324359

>  <Synonyms> (457)
N/A

>  <Target> (457)
PARP

>  <Form> (457)
free base

>  <CAS> (457)
836640-15-4

>  <URL> (457)
N/A

$$$$
WAY-324979
csChFnd80/12261913382D

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.1500   -4.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1167   -4.1625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -3.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4625   -3.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8667   -5.1167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5042   -5.3042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -4.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8292   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -4.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0292   -3.1792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -2.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6875   -2.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2042   -2.6292    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2167   -5.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4292   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8875   -1.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625   -0.8375    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  2  1  0  0  0  0
  5  1  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9  6  2  0  0  0  0
 10  3  1  0  0  0  0
 11 12  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  2  0  0  0  0
 14  4  1  0  0  0  0
 15 13  1  0  0  0  0
 16  9  1  0  0  0  0
 17 11  1  0  0  0  0
 18 13  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
  7  3  2  0  0  0  0
  4  8  2  0  0  0  0
 18 20  2  0  0  0  0
M  END
>  <Mol_ID> (458)
459

>  <Formula> (458)
C14H13ClN4S

>  <MolWeight> (458)
304.79782

>  <Cat> (458)
P3616

>  <Name> (458)
WAY-324979

>  <Synonyms> (458)
N/A

>  <Target> (458)
MicroRNA

>  <Form> (458)
free base

>  <CAS> (458)
221120-57-6

>  <URL> (458)
N/A

$$$$
WAY-620473
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.8375   -2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -2.2333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1208   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5500   -1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    1.0667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    3.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8375   -3.4708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3083    2.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    1.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208   -0.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    3.9542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    2.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    3.9542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2625   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792   -2.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792   -1.4083    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  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 11  1  0  0  0  0
 10  1  2  0  0  0  0
 11 18  1  0  0  0  0
 12  7  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  2  0  0  0  0
 15  9  2  0  0  0  0
 16 19  1  0  0  0  0
 17 12  1  0  0  0  0
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20  9  1  0  0  0  0
 21  4  1  0  0  0  0
 22  6  1  0  0  0  0
 23 21  2  0  0  0  0
 24 23  1  0  0  0  0
  5  3  2  0  0  0  0
 22 24  2  0  0  0  0
 11 17  1  0  0  0  0
M  END
>  <Mol_ID> (459)
460

>  <Formula> (459)
C17H20N4O3

>  <MolWeight> (459)
328.3657

>  <Cat> (459)
P3655

>  <Name> (459)
WAY-620473

>  <Synonyms> (459)
N/A

>  <Target> (459)
PARP-1

>  <Form> (459)
free base

>  <CAS> (459)
743451-55-0

>  <URL> (459)
N/A

$$$$
WAY-639320
csChFnd80/12261913382D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -1.2125    2.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5917   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0542    2.7708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917   -1.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4333    3.4333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3292   -0.2542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2125    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6917    0.1833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9500   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875    0.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0375   -1.6542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1750    1.3083    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -2.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9333    3.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6458    3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292    1.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583   -3.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7542   -0.7750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1000   -2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0708   -2.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0083   -3.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3542   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8042   -4.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
  6  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  1  1  0  0  0  0
  9 11  2  0  0  0  0
 10  9  1  0  0  0  0
 11 19  1  0  0  0  0
 12  3  1  0  0  0  0
 13  2  1  0  0  0  0
 14  1  1  0  0  0  0
 15 12  1  0  0  0  0
 16  8  1  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 15  2  0  0  0  0
 21 10  1  0  0  0  0
 22 15  1  0  0  0  0
 23 20  1  0  0  0  0
 24 20  1  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
  6  4  1  0  0  0  0
 18 16  2  0  0  0  0
  5  3  1  0  0  0  0
 26 24  2  0  0  0  0
M  END
>  <Mol_ID> (460)
461

>  <Formula> (460)
C17H16N8S

>  <MolWeight> (460)
364.42754

>  <Cat> (460)
P3666

>  <Name> (460)
WAY-639320

>  <Synonyms> (460)
N/A

>  <Target> (460)
MicroRNA

>  <Form> (460)
free base

>  <CAS> (460)
796060-12-3

>  <URL> (460)
N/A

$$$$
WAY-639432
csChFnd80/12261913382D

 24 26  0  0  0  0  0  0  0  0999 V2000
   -0.9833    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    1.0833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000   -0.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -1.3917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417    0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -0.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4417   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -2.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    2.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -2.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9833    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125    3.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1542   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    3.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750   -3.8667    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  1  0  0  0  0
  5  1  2  0  0  0  0
  6  9  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  2  0  0  0  0
  9 11  2  0  0  0  0
 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
 18 13  2  0  0  0  0
 19 18  1  0  0  0  0
 20 15  2  0  0  0  0
 21 16  1  0  0  0  0
 22 17  2  0  0  0  0
 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> (461)
462

>  <Formula> (461)
C21H19NO2

>  <MolWeight> (461)
317.38106

>  <Cat> (461)
P3667

>  <Name> (461)
WAY-639432

>  <Synonyms> (461)
N/A

>  <Target> (461)
EZH2

>  <Form> (461)
free base

>  <CAS> (461)
796050-78-7

>  <URL> (461)
N/A

$$$$
WAY-659224
csChFnd80/12261913382D

 22 24  0  0  0  0  0  0  0  0999 V2000
    0.6125   -0.8417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9625    0.5125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4167   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3417   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2125    1.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2083   -2.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9375    2.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -1.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4958   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    1.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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> (462)
463

>  <Formula> (462)
C16H18N2O4

>  <MolWeight> (462)
302.32512

>  <Cat> (462)
P3675

>  <Name> (462)
WAY-659224

>  <Synonyms> (462)
N/A

>  <Target> (462)
HDAC

>  <Form> (462)
free base

>  <CAS> (462)
864853-56-5

>  <URL> (462)
N/A

$$$$
WAY-326107
csChFnd80/12261913382D

 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
   10.7419    3.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1106    3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7888    2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5893    4.5525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1561    1.3027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0171    2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    3.7340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9624    1.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5609    1.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6309    5.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5796    1.4768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4186    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1233    2.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0177    5.5110    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6964    6.3535    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7366    3.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9130    3.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8901    1.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1943    4.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214    2.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7835    4.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263    3.5419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4974    0.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8146    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  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> (463)
464

>  <Formula> (463)
C17H16F2N4O2

>  <MolWeight> (463)
346.3313464

>  <Cat> (463)
P3618

>  <Name> (463)
WAY-326107

>  <Synonyms> (463)
N/A

>  <Target> (463)
MicroRNA

>  <Form> (463)
free base

>  <CAS> (463)
869714-54-5

>  <URL> (463)
N/A

$$$$
WAY-327520
csChFnd80/12261913382D

 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
    7.5218    8.6774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8429    8.5315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5149    7.7836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2260    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1412    7.2465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5218   10.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9603    7.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041    9.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2260    9.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041    9.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5766    6.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7864    7.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8571    5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3391    7.4105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0280    5.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2287    6.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3130    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771    6.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0638    8.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2603    8.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  4  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 11  1  0  0  0  0
  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
 19 15  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
  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> (464)
465

>  <Formula> (464)
C17H18N4O

>  <MolWeight> (464)
294.35102

>  <Cat> (464)
P3619

>  <Name> (464)
WAY-327520

>  <Synonyms> (464)
N/A

>  <Target> (464)
BRD4-TAF1

>  <Form> (464)
free base

>  <CAS> (464)
876710-97-3

>  <URL> (464)
N/A

$$$$
WAY-608116
csChFnd80/12261913382D

 19 22  0  0  0  0  0  0  0  0999 V2000
    1.0792   -0.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0792    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667   -0.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458   -0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667    0.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8667   -0.6042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625   -0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1458   -1.5792    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8208   -0.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583   -1.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3708   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -1.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3667    1.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    2.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.7125    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  3  2  0  0  0  0
  5  2  2  0  0  0  0
  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
  9  8  2  0  0  0  0
 13 14  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <Mol_ID> (465)
466

>  <Formula> (465)
C14H10N4S

>  <MolWeight> (465)
266.321

>  <Cat> (465)
P3650

>  <Name> (465)
WAY-608116

>  <Synonyms> (465)
N/A

>  <Target> (465)
BRD4

>  <Form> (465)
free base

>  <CAS> (465)
380546-70-3

>  <URL> (465)
N/A

$$$$
WAY-621850
csChFnd80/12261913382D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.0208   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -1.7375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3083   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    1.9750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208   -4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    1.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333   -0.9125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -0.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    3.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8333    4.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    4.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1208    5.2708    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4500   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1667   -2.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
 17 18  1  0  0  0  0
 18  5  1  0  0  0  0
 19 10  2  0  0  0  0
 20 10  1  0  0  0  0
 21 23  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 21  1  0  0  0  0
 25  4  1  0  0  0  0
 26  6  1  0  0  0  0
 27 25  2  0  0  0  0
 28 27  1  0  0  0  0
  5  3  2  0  0  0  0
 26 28  2  0  0  0  0
  8 14  1  0  0  0  0
 22 21  2  0  0  0  0
M  END
>  <Mol_ID> (466)
467

>  <Formula> (466)
C21H21FN4O2

>  <MolWeight> (466)
380.4154432

>  <Cat> (466)
P3656

>  <Name> (466)
WAY-621850

>  <Synonyms> (466)
N/A

>  <Target> (466)
PARP

>  <Form> (466)
free base

>  <CAS> (466)
745035-11-4

>  <URL> (466)
N/A

$$$$
WAY-641015
csChFnd80/12261913382D

 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
    0.8250    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -0.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0917    0.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -0.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1042    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -1.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    2.3958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3208   -1.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -0.0875    0.0000 C   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
    1.3125   -1.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0333   -1.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458   -1.3250    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  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
  8  5  2  0  0  0  0
  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
 16 13  1  0  0  0  0
 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> (467)
468

>  <Formula> (467)
C16H15N3O2

>  <MolWeight> (467)
281.3092

>  <Cat> (467)
P3668

>  <Name> (467)
WAY-641015

>  <Synonyms> (467)
N/A

>  <Target> (467)
EZH2/EZH1,BasE,acetyl CoA carboxylase

>  <Form> (467)
free base

>  <CAS> (467)
851175-95-6

>  <URL> (467)
N/A

$$$$
