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csChFnd80/03251016402D

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$$$$
Structure17
csChFnd80/03251016402D

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2008

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$$$$
Structure30
csChFnd80/03251016402D

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$$$$
Structure31
csChFnd80/03251016402D

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$$$$
Structure213
csChFnd80/03251016402D

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$$$$
Structure223
csChFnd80/03251016402D

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$$$$
Structure224
csChFnd80/03251016402D

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18232649

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2008

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$$$$
Structure35
csChFnd80/03251016402D

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2008

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$$$$
Structure37
csChFnd80/03251016402D

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$$$$
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csChFnd80/03251016402D

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csChFnd80/03251016402D

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>  <Mol_ID> (23)
41

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18232649

>  <IC50nM> (23)
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>  <Year> (23)
2008

>  <All_ID> (23)
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$$$$
Structure42
csChFnd80/03251016402D

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2008

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$$$$
Structure43
csChFnd80/03251016402D

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23

$$$$
Structure44
csChFnd80/03251016402D

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44

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>  <IC50nM> (26)
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2008

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24

$$$$
Structure45
csChFnd80/03251016402D

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$$$$
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csChFnd80/03251016402D

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M  END
>  <Mol_ID> (266)
347

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503.04002

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11440

>  <IC50nM> (266)
11

>  <All_ID> (266)
264

$$$$
pyrazolo[1,5-a]pyrimidine 9n
csChFnd80/03251016402D

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>  <Mol_ID> (267)
348

>  <Formula> (267)
C24H25BrN6O2S

>  <MolWeight> (267)
541.4633

>  <Target> (267)
CDK-2

>  <ID> (267)
11441

>  <IC50nM> (267)
16

>  <All_ID> (267)
265

$$$$
triazolo[1,5-a]pyrimidine 11
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (269)
350

>  <Formula> (269)
C17H21N7O2S

>  <MolWeight> (269)
387.45934

>  <Target> (269)
CDK-2

>  <ID> (269)
11449

>  <IC50nM> (269)
730

>  <All_ID> (269)
267

$$$$
Structure46
csChFnd80/03251016402D

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>  <Mol_ID> (28)
46

>  <Formula> (28)
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>  <MolWeight> (28)
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>  <Target> (28)
CDK-2

>  <ID> (28)
538

>  <SOURCE> (28)
15267232

>  <IC50nM> (28)
5400

>  <Year> (28)
2004

>  <All_ID> (28)
26

$$$$
triazolo[1,5-a]pyrimidine 14
csChFnd80/03251016402D

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270

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278

$$$$
Structure48
csChFnd80/03251016402D

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5300

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27

$$$$
pyrazolo[1,5-a]pyrimidine 9l
csChFnd80/03251016402D

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$$$$
pyrazolo[1,5-a]pyrimidine 9e
csChFnd80/03251016402D

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286

$$$$
pyrazolo[1,5-a]pyrimidine 9d
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (289)
372

>  <Formula> (289)
C20H26ClN7O2S

>  <MolWeight> (289)
463.98414

>  <Target> (289)
CDK-2

>  <ID> (289)
11431

>  <IC50nM> (289)
8

>  <All_ID> (289)
287

$$$$
pyrazolo[1,5-a]pyrimidine 9c
csChFnd80/03251016402D

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 31 32  3  0  0  0  0
M  END
>  <Mol_ID> (290)
373

>  <Formula> (290)
C21H26N8O2S

>  <MolWeight> (290)
454.54854

>  <Target> (290)
CDK-2

>  <ID> (290)
11430

>  <IC50nM> (290)
7

>  <All_ID> (290)
288

$$$$
Structure49
csChFnd80/03251016402D

 34 39  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (30)
49

>  <Formula> (30)
C25H22N6O3

>  <MolWeight> (30)
454.48058

>  <Target> (30)
CDK-2

>  <ID> (30)
544

>  <SOURCE> (30)
15267232

>  <IC50nM> (30)
2100

>  <Year> (30)
2004

>  <All_ID> (30)
28

$$$$
Structure50
csChFnd80/03251016402D

 38 44  0  0  0  0  0  0  0  0999 V2000
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   11.1504    6.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <Mol_ID> (31)
50

>  <Formula> (31)
C28H25FN6O3

>  <MolWeight> (31)
512.5349032

>  <Target> (31)
CDK-2

>  <ID> (31)
546

>  <SOURCE> (31)
15267232

>  <IC50nM> (31)
2800

>  <Year> (31)
2004

>  <All_ID> (31)
29

$$$$
Structure2
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (4)
2

>  <Formula> (4)
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>  <MolWeight> (4)
370.40392

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48

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>  <IC50nM> (4)
5

>  <Year> (4)
2008

>  <All_ID> (4)
2

$$$$
Structure52
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (32)
52

>  <Formula> (32)
C16H13BrN4O2

>  <MolWeight> (32)
373.20402

>  <Target> (32)
CDK-2

>  <ID> (32)
674

>  <SOURCE> (32)
12941333

>  <IC50nM> (32)
5

>  <Year> (32)
2003

>  <All_ID> (32)
30

$$$$
13
csChFnd80/03251016402D

 24 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (317)
400

>  <Formula> (317)
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363.41142

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>  <IC50nM> (317)
30

>  <All_ID> (317)
315

$$$$
12
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (318)
401

>  <Formula> (318)
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>  <MolWeight> (318)
383.8299

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>  <ID> (318)
17150

>  <IC50nM> (318)
570

>  <All_ID> (318)
316

$$$$
7
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (330)
413

>  <Formula> (330)
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>  <MolWeight> (330)
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>  <Target> (330)
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>  <ID> (330)
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>  <IC50nM> (330)
570

>  <All_ID> (330)
328

$$$$
1
csChFnd80/03251016402D

 23 25  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (331)
414

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>  <MolWeight> (331)
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>  <IC50nM> (331)
180

>  <All_ID> (331)
329

$$$$
Structure54
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (34)
54

>  <Formula> (34)
C16H13BrN4O2

>  <MolWeight> (34)
373.20402

>  <Target> (34)
CDK-2

>  <ID> (34)
677

>  <SOURCE> (34)
12941333

>  <IC50nM> (34)
2

>  <Year> (34)
2003

>  <All_ID> (34)
32

$$$$
6
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (332)
415

>  <Formula> (332)
C15H13N3O4S2

>  <MolWeight> (332)
363.41142

>  <Target> (332)
CDK-2

>  <ID> (332)
17144

>  <IC50nM> (332)
120

>  <All_ID> (332)
330

$$$$
11
csChFnd80/03251016402D

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M  END
>  <Mol_ID> (340)
424

>  <Formula> (340)
C15H10F3N3O4S2

>  <MolWeight> (340)
417.3828096

>  <Target> (340)
CDK-2

>  <ID> (340)
17149

>  <IC50nM> (340)
610

>  <All_ID> (340)
338

$$$$
Structure55
csChFnd80/03251016402D

 23 26  0  0  0  0  0  0  0  0999 V2000
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M  END
>  <Mol_ID> (35)
55

>  <Formula> (35)
C16H13ClN4O2

>  <MolWeight> (35)
328.75302

>  <Target> (35)
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>  <ID> (35)
679

>  <SOURCE> (35)
12941333

>  <IC50nM> (35)
2

>  <Year> (35)
2003

>  <All_ID> (35)
33

$$$$
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 19
csChFnd80/03251016402D

 21 24  0  0  0  0  0  0  0  0999 V2000
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>  <Mol_ID> (343)
427

>  <Formula> (343)
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>  <MolWeight> (343)
280.28138

>  <Target> (343)
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>  <ID> (343)
8574

>  <IC50nM> (343)
447

>  <All_ID> (343)
341

$$$$
4-Acylamino-6-arylfuro[2,3-d]pyrimidine 24
csChFnd80/03251016402D

 23 26  0  0  0  0  0  0  0  0999 V2000
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    2.0840    0.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0852    2.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402    2.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712    0.0975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  3  2  1  0  0  0  0
  2  4  2  0  0  0  0
  4  7  1  0  0  0  0
  1 14  1  0  0  0  0
  6  5  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7  5  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 17 11  2  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (345)
429

>  <Formula> (345)
C17H16N4O2

>  <MolWeight> (345)
308.33454

>  <Target> (345)
CDK-2

>  <ID> (345)
8579

>  <IC50nM> (345)
457

>  <All_ID> (345)
343

$$$$
Structure57
csChFnd80/03251016402D

 22 25  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
    4.8497    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    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
    7.3937    6.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166    4.9000    0.0000 N   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
    7.8263    7.3641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1957    7.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    8.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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    1.4000    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
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1325    6.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4639    6.1821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4235    5.2454    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
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  1  0  0  0  0
 12 11  2  0  0  0  0
 10 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
  6 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 11 19  1  0  0  0  0
 21 20  1  0  0  0  0
 16 22  1  0  0  0  0
M  END
>  <Mol_ID> (37)
57

>  <Formula> (37)
C16H14N4O2

>  <MolWeight> (37)
294.30796

>  <Target> (37)
CDK-2

>  <ID> (37)
681

>  <SOURCE> (37)
12941333

>  <IC50nM> (37)
62

>  <Year> (37)
2003

>  <All_ID> (37)
35

$$$$
Structure58
csChFnd80/03251016402D

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.4000    6.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    4.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    4.8458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    7.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    6.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7694    5.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    4.3749    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6368    3.8054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8098    6.7040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1413    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1817    7.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    6.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    4.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    7.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4324    4.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7638    4.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    8.4831    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.0549    3.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3864    2.6673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4268    3.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6775    1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7583    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0090    0.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0494    1.8020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3808    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6719    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  1  0  0  0  0
 12 11  2  0  0  0  0
 10 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
  6 13  1  0  0  0  0
 20 19  1  0  0  0  0
 11 19  1  0  0  0  0
 18 21  1  0  0  0  0
  5 22  1  0  0  0  0
 20 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 29 28  1  0  0  0  0
 23 24  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
>  <Mol_ID> (38)
58

>  <Formula> (38)
C22H27BrN6O2

>  <MolWeight> (38)
487.39278

>  <Target> (38)
CDK-2

>  <ID> (38)
682

>  <SOURCE> (38)
12941333

>  <IC50nM> (38)
6

>  <Year> (38)
2003

>  <All_ID> (38)
36

$$$$
pyrazolo[1,5-b]pyridazine deriv. 16 
csChFnd80/03251016402D

 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
M  END
>  <Mol_ID> (379)
466

>  <Formula> (379)
C16H12N6

>  <MolWeight> (379)
288.30668

>  <Target> (379)
CDK-2

>  <ID> (379)
8126

>  <IC50nM> (379)
5

>  <All_ID> (379)
377

$$$$
pyrazolo[1,5-b]pyridazine deriv. 19 
csChFnd80/03251016402D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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  1  0  0  0  0
M  END
>  <Mol_ID> (380)
467

>  <Formula> (380)
C17H14N6O

>  <MolWeight> (380)
318.33266

>  <Target> (380)
CDK-2

>  <ID> (380)
8128

>  <IC50nM> (380)
2

>  <All_ID> (380)
378

$$$$
Structure60
csChFnd80/03251016402D

 16 18  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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$$$$
Structure74
csChFnd80/03251016402D

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2003

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$$$$
Structure75
csChFnd80/03251016402D

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75

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716

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12941333

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631

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2003

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39

$$$$
Structure78
csChFnd80/03251016402D

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$$$$
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csChFnd80/03251016402D

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$$$$
Structure87
csChFnd80/03251016402D

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>  <ID> (45)
757

>  <SOURCE> (45)
15149684

>  <IC50nM> (45)
2800

>  <Year> (45)
2004

>  <All_ID> (45)
43

$$$$
Structure88
csChFnd80/03251016402D

 28 31  0  0  0  0  0  0  0  0999 V2000
    5.5630    9.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8419    9.8340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093    7.8722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7788    8.7935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0788    7.5811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3506    9.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6689    6.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2995    7.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1995    8.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4995    7.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452    3.6041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2911    1.3695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6482    6.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0406    6.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8253    5.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6100    4.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3947    3.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7871    3.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8634    7.2885    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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  2  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
  3  8  1  0  0  0  0
 13 10  1  0  0  0  0
 12 10  2  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 26 25  2  0  0  0  0
  5 21  1  0  0  0  0
 22 27  1  0  0  0  0
 20 28  1  0  0  0  0
M  END
>  <Mol_ID> (46)
88

>  <Formula> (46)
C21H19N3O4

>  <MolWeight> (46)
377.39326

>  <Target> (46)
CDK-2

>  <ID> (46)
759

>  <SOURCE> (46)
15149684

>  <IC50nM> (46)
430

>  <Year> (46)
2004

>  <All_ID> (46)
44

$$$$
Structure89
csChFnd80/03251016402D

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.8944   12.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1734   13.5095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0407   11.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101   12.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4101   11.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6819   13.6400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5025   12.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0003   10.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1466    9.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6308   10.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    8.6492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308    9.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308   12.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308   12.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    9.6896    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308   10.9020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5766    7.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    6.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9540    5.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    5.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    9.9777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3719    9.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1566    8.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9414    8.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7261    7.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1184    7.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1948   10.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    2.7388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0807    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7114    1.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502    1.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5872   10.8176    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  2  0  0  0  0
  5  4  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  2  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
  3  8  1  0  0  0  0
 13 10  1  0  0  0  0
 12 10  2  0  0  0  0
 14 13  2  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  2  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  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 24 22  2  0  0  0  0
 26 24  1  0  0  0  0
 26 25  2  0  0  0  0
  5 21  1  0  0  0  0
 20 27  1  0  0  0  0
 25 23  1  0  0  0  0
 22 28  1  0  0  0  0
 27 29  2  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
 28 35  1  0  0  0  0
M  END
>  <Mol_ID> (47)
89

>  <Formula> (47)
C26H28N4O5

>  <MolWeight> (47)
476.52432

>  <Target> (47)
CDK-2

>  <ID> (47)
761

>  <SOURCE> (47)
15149684

>  <IC50nM> (47)
68

>  <Year> (47)
2004

>  <All_ID> (47)
45

$$$$
indazole analogue 12
csChFnd80/03251016402D

 22 25  0  0  0  0  0  0  0  0999 V2000
    0.1789    1.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9420    2.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117    2.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395    2.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067    1.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4336    2.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8917    1.9738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3806    1.3261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7195    3.4338    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5327    3.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8186    4.3470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0599    2.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2173    2.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8399    2.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8765    1.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    0.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4418    1.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5852    0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
 15  5  2  0  0  0  0
  6  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  2  0  0  0  0
  8  7  1  0  0  0  0
  6  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
 14 12  1  0  0  0  0
 13 14  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 21 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
  1 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <Mol_ID> (469)
571

>  <Formula> (469)
C17H15N3O2

>  <MolWeight> (469)
293.3199

>  <Target> (469)
CDK-2

>  <ID> (469)
8370

>  <IC50nM> (469)
5

>  <All_ID> (469)
467

$$$$
pyrazolo[1,5-b]pyridazine deriv. 54
csChFnd80/03251016402D

 27 31  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2709   -1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
  3 21  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 23  1  0  0  0  0
 26 22  1  0  0  0  0
 26 25  1  0  0  0  0
 23 27  1  0  0  0  0
 27 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
>  <Mol_ID> (479)
584

>  <Formula> (479)
C19H16N6O2

>  <MolWeight> (479)
360.36934

>  <Target> (479)
CDK-2

>  <ID> (479)
8163

>  <IC50nM> (479)
6

>  <All_ID> (479)
477

$$$$
pyrazolo[1,5-b]pyridazine deriv. 52
csChFnd80/03251016402D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5705   -0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    0.3414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    1.1465    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7996    0.5549    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827   -0.4637    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
  3 23  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  2  0  0  0  0
 21 24  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
>  <Mol_ID> (481)
586

>  <Formula> (481)
C18H13F3N6

>  <MolWeight> (481)
370.3312296

>  <Target> (481)
CDK-2

>  <ID> (481)
8161

>  <IC50nM> (481)
199

>  <All_ID> (481)
479

$$$$
pyrazolo[1,5-b]pyridazine deriv. 53
csChFnd80/03251016402D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4490   -1.2180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619   -1.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    1.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1437    2.4233    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7174    1.3797    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429    1.8731    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
  3 23  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 18 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> (483)
588

>  <Formula> (483)
C19H15F3N6O

>  <MolWeight> (483)
400.3572096

>  <Target> (483)
CDK-2

>  <ID> (483)
8162

>  <IC50nM> (483)
20

>  <All_ID> (483)
481

$$$$
pyrazolo[1,5-b]pyridazine deriv. 45
csChFnd80/03251016402D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    2.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.9388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 27  2  0  0  0  0
 25 26  2  0  0  0  0
M  END
>  <Mol_ID> (486)
591

>  <Formula> (486)
C17H13N7O3

>  <MolWeight> (486)
363.33022

>  <Target> (486)
CDK-2

>  <ID> (486)
8154

>  <IC50nM> (486)
20

>  <All_ID> (486)
484

$$$$
pyrazolo[1,5-b]pyridazine deriv. 46
csChFnd80/03251016402D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    2.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9171    2.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 21 27  1  0  0  0  0
 18 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (487)
592

>  <Formula> (487)
C19H18N6O3

>  <MolWeight> (487)
378.38462

>  <Target> (487)
CDK-2

>  <ID> (487)
8155

>  <IC50nM> (487)
199

>  <All_ID> (487)
485

$$$$
pyrazolo[1,5-b]pyridazine deriv. 47
csChFnd80/03251016402D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    0.2266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    1.6298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1344    2.4267    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096    1.3878    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321    1.8717    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4607   -1.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2857   -1.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 21 19  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  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
 25 28  1  0  0  0  0
 23 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
>  <Mol_ID> (488)
593

>  <Formula> (488)
C19H15F3N6O2

>  <MolWeight> (488)
416.3566096

>  <Target> (488)
CDK-2

>  <ID> (488)
8156

>  <IC50nM> (488)
794

>  <All_ID> (488)
486

$$$$
pyrazolo[1,5-b]pyridazine deriv. 50
csChFnd80/03251016402D

 28 32  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705   -0.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6507    0.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8406    0.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1105   -0.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1908    0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709   -1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5410   -0.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0009    0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4608   -1.2079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 17  1  0  0  0  0
  3 16  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 20 18  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 21 24  1  0  0  0  0
 27 23  1  0  0  0  0
 24 23  2  0  0  0  0
 24 28  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (491)
596

>  <Formula> (491)
C19H16N6O3

>  <MolWeight> (491)
376.36874

>  <Target> (491)
CDK-2

>  <ID> (491)
8159

>  <IC50nM> (491)
100

>  <All_ID> (491)
489

$$$$
pyrazolo[1,5-b]pyridazine deriv. 42
csChFnd80/03251016402D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (499)
604

>  <Formula> (499)
C18H16N6O2

>  <MolWeight> (499)
348.35864

>  <Target> (499)
CDK-2

>  <ID> (499)
8151

>  <IC50nM> (499)
63

>  <All_ID> (499)
497

$$$$
pyrazolo[1,5-b]pyridazine deriv. 43
csChFnd80/03251016402D

 29 32  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9334    0.8283    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    0.5263    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7584   -0.6007    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
>  <Mol_ID> (500)
605

>  <Formula> (500)
C18H13F3N6O2

>  <MolWeight> (500)
402.3300296

>  <Target> (500)
CDK-2

>  <ID> (500)
8152

>  <IC50nM> (500)
199

>  <All_ID> (500)
498

$$$$
pyrazolo[1,5-b]pyridazine deriv. 44
csChFnd80/03251016402D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.7638    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  3  0  0  0  0
M  END
>  <Mol_ID> (502)
607

>  <Formula> (502)
C18H13N7O

>  <MolWeight> (502)
343.34212

>  <Target> (502)
CDK-2

>  <ID> (502)
8153

>  <IC50nM> (502)
501

>  <All_ID> (502)
500

$$$$
pyrazolo[1,5-b]pyridazine deriv. 38
csChFnd80/03251016402D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    0.4158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460   -0.7112    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2190   -1.0132    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
  3 23  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <Mol_ID> (510)
615

>  <Formula> (510)
C17H11F3N6O

>  <MolWeight> (510)
372.3040496

>  <Target> (510)
CDK-2

>  <ID> (510)
8147

>  <IC50nM> (510)
8

>  <All_ID> (510)
508

$$$$
pyrazolo[1,5-b]pyridazine deriv. 39
csChFnd80/03251016402D

 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026    1.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2026   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    0.4158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460   -0.7112    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2190   -1.0132    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    3.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    3.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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
  3 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
>  <Mol_ID> (511)
616

>  <Formula> (511)
C18H13F3N6O

>  <MolWeight> (511)
386.3306296

>  <Target> (511)
CDK-2

>  <ID> (511)
8148

>  <IC50nM> (511)
160

>  <All_ID> (511)
509

$$$$
pyrazolo[1,5-b]pyridazine deriv. 32
csChFnd80/03251016402D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    2.1764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (516)
621

>  <Formula> (516)
C18H18N6O2

>  <MolWeight> (516)
350.37452

>  <Target> (516)
CDK-2

>  <ID> (516)
8141

>  <IC50nM> (516)
15

>  <All_ID> (516)
514

$$$$
pyrazolo[1,5-b]pyridazine deriv. 28
csChFnd80/03251016402D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3514    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
>  <Mol_ID> (524)
629

>  <Formula> (524)
C16H10F2N6

>  <MolWeight> (524)
324.2876064

>  <Target> (524)
CDK-2

>  <ID> (524)
8137

>  <IC50nM> (524)
2

>  <All_ID> (524)
522

$$$$
pyrazolo[1,5-b]pyridazine deriv. 30
csChFnd80/03251016402D

 24 27  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3514    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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
 21 24  1  0  0  0  0
M  END
>  <Mol_ID> (526)
631

>  <Formula> (526)
C16H10Cl2N6

>  <MolWeight> (526)
357.1968

>  <Target> (526)
CDK-2

>  <ID> (526)
8139

>  <IC50nM> (526)
1

>  <All_ID> (526)
524

$$$$
pyrazolo[1,5-b]pyridazine deriv. 23
csChFnd80/03251016402D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3514    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3459    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    2.5889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (527)
632

>  <Formula> (527)
C20H20N6

>  <MolWeight> (527)
344.413

>  <Target> (527)
CDK-2

>  <ID> (527)
8132

>  <IC50nM> (527)
158

>  <All_ID> (527)
525

$$$$
pyrazolo[1,5-b]pyridazine deriv. 24
csChFnd80/03251016402D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <Mol_ID> (530)
635

>  <Formula> (530)
C20H20N6

>  <MolWeight> (530)
344.413

>  <Target> (530)
CDK-2

>  <ID> (530)
8133

>  <IC50nM> (530)
158

>  <All_ID> (530)
528

$$$$
pyrazolo[1,5-b]pyridazine deriv. 25
csChFnd80/03251016402D

 26 29  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315   -0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148    0.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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
 22 25  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (532)
637

>  <Formula> (532)
C18H16N6O2

>  <MolWeight> (532)
348.35864

>  <Target> (532)
CDK-2

>  <ID> (532)
8134

>  <IC50nM> (532)
50

>  <All_ID> (532)
530

$$$$
pyrazolo[1,5-b]pyridazine deriv. 22
csChFnd80/03251016402D

 25 28  0  0  0  0  0  0  0  0999 V2000
   -0.1562    2.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5582    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    2.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    2.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    3.5112    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707    3.2563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1562    3.6688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3698    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9409    0.9389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6553   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2264   -0.2987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4881    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9170    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3459    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    2.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
  8  3  2  0  0  0  0
  4  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  4  7  1  0  0  0  0
  9  4  2  0  0  0  0
  6  5  2  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
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  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
 23 25  1  0  0  0  0
M  END
>  <Mol_ID> (538)
643

>  <Formula> (538)
C19H18N6

>  <MolWeight> (538)
330.38642

>  <Target> (538)
CDK-2

>  <ID> (538)
8131

>  <IC50nM> (538)
16

>  <All_ID> (538)
536

$$$$
Structure8
csChFnd80/03251016402D

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.1001    2.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    2.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388    3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.5639    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709    3.7425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8546    4.1811    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1439    5.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1174    6.4866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4785    5.9825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4120    7.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8506    5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  2  1  2  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
  9  8  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 13  1  0  0  0  0
M  END
>  <Mol_ID> (8)
8

>  <Formula> (8)
C11H11N3O

>  <MolWeight> (8)
201.22454

>  <Target> (8)
CDK-2

>  <ID> (8)
69

>  <SOURCE> (8)
17707953

>  <IC50nM> (8)
5

>  <Year> (8)
2008

>  <All_ID> (8)
6

$$$$
triazolo[1,5-a]pyrimidine 6
csChFnd80/03251016402D

 27 30  0  0  0  0  0  0  0  0999 V2000
   -1.0625    2.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770    2.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7770    1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    1.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    1.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480    2.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914    1.1437    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4914    0.3187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2049   -0.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2029   -0.9205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7740   -0.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5055   -0.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4875   -1.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7760   -0.0920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9920    0.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9888   -1.1700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664    3.6188    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3664    2.7938    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1633    3.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7789    2.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9164   -1.3347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6309   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3454    0.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0598   -0.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0598   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3454   -1.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6309   -0.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  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 18  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  2  0  0  0  0
 13 11  1  0  0  0  0
 15 14  1  0  0  0  0
 15 12  2  0  0  0  0
 11 16  2  0  0  0  0
 16 12  1  0  0  0  0
 11 14  1  0  0  0  0
 10 21  1  0  0  0  0
 18 17  1  0  0  0  0
 18 20  2  0  0  0  0
 18 19  2  0  0  0  0
 21 22  1  0  0  0  0
 26 22  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
>  <Mol_ID> (812)
940

>  <Formula> (812)
C17H20N6O3S

>  <MolWeight> (812)
388.4441

>  <Target> (812)
CDK-2

>  <ID> (812)
11448

>  <IC50nM> (812)
350

>  <All_ID> (812)
810

$$$$